4-methyl-3-(3-methylsulfanyl-6,7-dihydro-2-benzothiophen-1-yl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-methyl-3-(3-methylsulfanyl-6,7-dihydro-2-benzothiophen-1-yl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-methyl-3-(3-methylsulfanyl-6,7-dihydro-2-benzothiophen-1-yl)-1H-1,2,4-triazole-5-thione CAS Name: 4-methyl-3-[3-(methylthio)-6,7-dihydro-2-benzothiophen-1-yl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-methyl-3-(3-methylsulfanyl-6,7-dihydro-2-benzothiophen-1-yl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-methyl-3-[3-(methylthio)-6,7-dihydroisobenzothiophen-1-yl]-1H-1,2,4-triazole-5-thione Formula: C12H13N3S3 MolecularWeight: 295.44672

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NNC1=S)C2=C3CCC=CC3=C(S2)SC

Isomeric SMILES

CN1C(=NNC1=S)C2=C3CCC=CC3=C(S2)SC

InChI

InChI=1S/C12H13N3S3/c1-15-10(13-14-12(15)16)9-7-5-3-4-6-8(7)11(17-2)18-9/h4,6H,3,5H2,1-2H3,(H,14,16)