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

Systemtic Name: 4-(3-methylphenyl)-3-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-(m-tolyl)-3-(4,5,6,7-tetrahydrobenzothiophen-3-yl)-1H-1,2,4-triazole-5-thione CAS Name: 4-(3-methylphenyl)-3-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(3-methylphenyl)-3-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-(m-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=C1)N2C(=NNC2=S)C3=CSC4=C3CCCC4

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NNC2=S)C3=CSC4=C3CCCC4

InChI

InChI=1S/C17H17N3S2/c1-11-5-4-6-12(9-11)20-16(18-19-17(20)21)14-10-22-15-8-3-2-7-13(14)15/h4-6,9-10H,2-3,7-8H2,1H3,(H,19,21)