methyl 2-(4-methylphenyl)-5-oxidanylidene-4-(phenylmethyl)-3-sulfanylidene-1H-1,2,4-triazepine-7-carboxylate

Systemtic Name: methyl 2-(4-methylphenyl)-5-oxidanylidene-4-(phenylmethyl)-3-sulfanylidene-1H-1,2,4-triazepine-7-carboxylate Openeye Name: methyl 4-benzyl-5-oxo-2-(p-tolyl)-3-thioxo-1H-1,2,4-triazepine-7-carboxylate CAS Name: 2-(4-methylphenyl)-5-oxo-4-(phenylmethyl)-3-sulfanylidene-1H-1,2,4-triazepine-7-carboxylic acid methyl ester IUPAC Name: methyl 4-benzyl-2-(4-methylphenyl)-5-oxo-3-sulfanylidene-1H-1,2,4-triazepine-7-carboxylate Traditional Name: 4-benzyl-5-keto-2-(p-tolyl)-3-thioxo-1H-1,2,4-triazepine-7-carboxylic acid methyl ester Formula: C20H19N3O3S MolecularWeight: 381.44816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=S)N(C(=O)C=C(N2)C(=O)OC)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=S)N(C(=O)C=C(N2)C(=O)OC)CC3=CC=CC=C3

InChI

InChI=1S/C20H19N3O3S/c1-14-8-10-16(11-9-14)23-20(27)22(13-15-6-4-3-5-7-15)18(24)12-17(21-23)19(25)26-2/h3-12,21H,13H2,1-2H3