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

Systemtic Name: 4-(phenylmethyl)-3-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-benzyl-3-(4,5,6,7-tetrahydrobenzothiophen-3-yl)-1H-1,2,4-triazole-5-thione CAS Name: 4-(phenylmethyl)-3-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-benzyl-3-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-benzyl-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:

C1CCC2=C(C1)C(=CS2)C3=NNC(=S)N3CC4=CC=CC=C4

Isomeric SMILES

C1CCC2=C(C1)C(=CS2)C3=NNC(=S)N3CC4=CC=CC=C4

InChI

InChI=1S/C17H17N3S2/c21-17-19-18-16(20(17)10-12-6-2-1-3-7-12)14-11-22-15-9-5-4-8-13(14)15/h1-3,6-7,11H,4-5,8-10H2,(H,19,21)