5-(4-methylphenyl)-4-(phenylcarbamothioylamino)-1,2,4-triazole-3-thiolate

Systemtic Name: 5-(4-methylphenyl)-4-(phenylcarbamothioylamino)-1,2,4-triazole-3-thiolate Openeye Name: 4-(phenylcarbamothioylamino)-5-(p-tolyl)-1,2,4-triazole-3-thiolate CAS Name: 4-[[anilino(sulfanylidene)methyl]amino]-5-(4-methylphenyl)-1,2,4-triazole-3-thiolate IUPAC Name: 5-(4-methylphenyl)-4-(phenylcarbamothioylamino)-1,2,4-triazole-3-thiolate Traditional Name: 4-(phenylthiocarbamoylamino)-5-(p-tolyl)-1,2,4-triazole-3-thiolate Formula: C16H14N5S2- MolecularWeight: 340.44586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N5S2/c1-11-7-9-12(10-8-11)14-18-19-16(23)21(14)20-15(22)17-13-5-3-2-4-6-13/h2-10H,1H3,(H,19,23)(H2,17,20,22)/p-1