4-[(4-chlorophenyl)carbamothioylamino]-5-(4-methylphenyl)-1,2,4-triazole-3-thiolate

Systemtic Name: 4-[(4-chlorophenyl)carbamothioylamino]-5-(4-methylphenyl)-1,2,4-triazole-3-thiolate Openeye Name: 4-[(4-chlorophenyl)carbamothioylamino]-5-(p-tolyl)-1,2,4-triazole-3-thiolate CAS Name: 4-[[(4-chloroanilino)-sulfanylidenemethyl]amino]-5-(4-methylphenyl)-1,2,4-triazole-3-thiolate IUPAC Name: 4-[(4-chlorophenyl)carbamothioylamino]-5-(4-methylphenyl)-1,2,4-triazole-3-thiolate Traditional Name: 4-[(4-chlorophenyl)thiocarbamoylamino]-5-(p-tolyl)-1,2,4-triazole-3-thiolate Formula: C16H13ClN5S2- MolecularWeight: 374.89092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2NC(=S)NC3=CC=C(C=C3)Cl)[S-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2NC(=S)NC3=CC=C(C=C3)Cl)[S-]

InChI

InChI=1S/C16H14ClN5S2/c1-10-2-4-11(5-3-10)14-19-20-16(24)22(14)21-15(23)18-13-8-6-12(17)7-9-13/h2-9H,1H3,(H,20,24)(H2,18,21,23)/p-1