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

Systemtic Name: methyl (6S)-4-methyl-6-(3-methylphenyl)-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6S)-4-methyl-6-(m-tolyl)-3-phenyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-4-methyl-6-(3-methylphenyl)-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6S)-4-methyl-6-(3-methylphenyl)-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-4-methyl-6-(m-tolyl)-3-phenyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C20H20N2O2S MolecularWeight: 352.45

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2C(=C(N(C(=S)N2)C3=CC=CC=C3)C)C(=O)OC

Isomeric SMILES

CC1=CC=CC(=C1)[C@H]2C(=C(N(C(=S)N2)C3=CC=CC=C3)C)C(=O)OC

InChI

InChI=1S/C20H20N2O2S/c1-13-8-7-9-15(12-13)18-17(19(23)24-3)14(2)22(20(25)21-18)16-10-5-4-6-11-16/h4-12,18H,1-3H3,(H,21,25)/t18-/m0/s1