4-(2-methylphenyl)-3-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-(2-methylphenyl)-3-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-(o-tolyl)-3-(4,5,6,7-tetrahydrobenzothiophen-3-yl)-1H-1,2,4-triazole-5-thione CAS Name: 4-(2-methylphenyl)-3-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(2-methylphenyl)-3-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-(o-tolyl)-3-(4,5,6,7-tetrahydrobenzothiophen-3-yl)-1H-1,2,4-triazole-5-thione Formula: C17H17N3S2 MolecularWeight: 327.46698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NNC2=S)C3=CSC4=C3CCCC4

Isomeric SMILES

CC1=CC=CC=C1N2C(=NNC2=S)C3=CSC4=C3CCCC4

InChI

InChI=1S/C17H17N3S2/c1-11-6-2-4-8-14(11)20-16(18-19-17(20)21)13-10-22-15-9-5-3-7-12(13)15/h2,4,6,8,10H,3,5,7,9H2,1H3,(H,19,21)