310786 <common-name>4-(4-iodophenyl)-3-[(2-methyl-1h-indol-3-yl)methyl]-1h-1,2,4-triazole-5-thione</common-name> <description>4-(4-iodophenyl)-3-[(2-methyl-1h-indol-3-yl)methyl]-1h-1,2,4-triazole-5-thione is a chemical compound with the formula C18H15IN4S. It has an average molecular weight of 446.30 g/mol.</description> <cas>54649-05-7</cas> <pubchem-id>3041672</pubchem-id> <chemical-formula>C18H15IN4S</chemical-formula> <weight>446.3</weight> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-08-29T06:26:44Z</created-at> <updated-at type="dateTime">2026-08-29T06:26:44Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>CC1=C(C2=CC=CC=C2N1)CC3=NNC(=S)N3C4=CC=C(C=C4)I</moldb-smiles> <moldb-formula>C18H15IN4S</moldb-formula> <moldb-inchi>InChI=1S/C18H15IN4S/c1-11-15(14-4-2-3-5-16(14)20-11)10-17-21-22-18(24)23(17)13-8-6-12(19)7-9-13/h2-9,20H,10H2,1H3,(H,22,24)</moldb-inchi> <moldb-inchikey>AJWMIUGKGODHHJ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">446.00622</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.3</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM306679</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>4-(4-iodophenyl)-3-[(2-methyl-1h-indol-3-yl)methyl]-1h-1,2,4-triazole-5-thione</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Organoheterocyclic compounds</superklass> <klass>Azoles</klass> <subklass>Triazoles</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0261754</sync-id> <structure-inchikey>AJWMIUGKGODHHJ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>200020800040000104000000000010000000000200004000000000000000000002000000000000002000000000000800000808000000000100000000000000000000000000000000000000040000000800000000000000000000000000000000000000000008000000000000000100100000000000000000000000000040000000800000200000000000000040000100000000000000000000000010000000000000040000080000000000020000000000000002000000000000000000040000200000000000000000000000000000042000024200000001000040000040000000000040000000000000000000008000000040080000002000</structure-fingerprint> <structure-pattern-fingerprint>501742100912824081000b4001282100018014000505220400352041822089cc54222010128000041104410800c0000004600224c08c32410026647100a04040c7110c001290040020901000037202840844059053211b3240040c62502240021c2805270048220060020400c5940200208680708119c09c5119286802510012124841084ef08208080612508aac0008397c8812468014830022082020c000a6508310100090c2080a000960017c2d100ac000028943084818a0421008c04238804010a404d01a3305800400141112800c010000025050200d12020408000300901048100889020400020411d3522000001000308042040e4108100052141442</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAYAAAAGwAAAIABBgBgAAAAAQMGQCgAAAAD BAZAKAAAAAMEBkAoAAAAAwQGQGgAAAADAwEGQGgAAAADAwEGQGgAAAADAwEG QGgAAAADAwEGQCgAAAADBAdAOAAAAAMBAwYAYAAAAAICBkAoAAAAAwQHQCgA AAADAwdAOAAAAAMBAwZAKAAAAAMEEAAoAAAAAwIHQCgAAAADAwZAKAAAAAME BkBoAAAAAwMBBkBoAAAAAwMBBkAoAAAAAwQGQGgAAAADAwEGQGgAAAADAwE1 ACAAAAABCwABAAECaAwCA2gMAwRoDAQFaAwFBmgMBgdoDAcIaAwICWgMAgoA CgsACwxoDAwNaAwNDmgMDg8oAg4QaAwQESAREmgMEhNoDBMUaAwUFWgMFRZo DBQXAAkBaAwIA2gMEAtoDBYRaAxCBAAAAAUBAgMICQYEBQYHCAMFDAsQDg0G EhMUFRYRFwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:18:06Z</structure-indexed-at> </compound>