methyl 4-methyl-3-(3-methylphenyl)-6-(3-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl 4-methyl-3-(3-methylphenyl)-6-(3-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 4-methyl-3-(m-tolyl)-6-(3-nitrophenyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-methyl-3-(3-methylphenyl)-6-(3-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 4-methyl-3-(3-methylphenyl)-6-(3-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 4-methyl-3-(m-tolyl)-6-(3-nitrophenyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=C(C(NC2=S)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=C(C(NC2=S)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC)C

InChI

InChI=1S/C20H19N3O4S/c1-12-6-4-8-15(10-12)22-13(2)17(19(24)27-3)18(21-20(22)28)14-7-5-9-16(11-14)23(25)26/h4-11,18H,1-3H3,(H,21,28)