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

Systemtic Name: 4-(2-methylphenyl)-5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1,2,4-triazole-3-thiolate Openeye Name: 4-(o-tolyl)-5-(4,5,6,7-tetrahydrobenzothiophen-3-yl)-1,2,4-triazole-3-thiolate CAS Name: 4-(2-methylphenyl)-5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1,2,4-triazole-3-thiolate IUPAC Name: 4-(2-methylphenyl)-5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1,2,4-triazole-3-thiolate Traditional Name: 4-(o-tolyl)-5-(4,5,6,7-tetrahydrobenzothiophen-3-yl)-1,2,4-triazole-3-thiolate Formula: C17H16N3S2- MolecularWeight: 326.45904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2[S-])C3=CSC4=C3CCCC4

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2[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)/p-1