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

Systemtic Name: methyl (6S)-3-(3-bromophenyl)-4-methyl-6-(3-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6S)-3-(3-bromophenyl)-4-methyl-6-(3-nitrophenyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-3-(3-bromophenyl)-4-methyl-6-(3-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6S)-3-(3-bromophenyl)-4-methyl-6-(3-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-3-(3-bromophenyl)-4-methyl-6-(3-nitrophenyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C19H16BrN3O4S MolecularWeight: 462.31704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C2=CC(=CC=C2)Br)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C([C@@H](NC(=S)N1C2=CC(=CC=C2)Br)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C19H16BrN3O4S/c1-11-16(18(24)27-2)17(12-5-3-8-15(9-12)23(25)26)21-19(28)22(11)14-7-4-6-13(20)10-14/h3-10,17H,1-2H3,(H,21,28)/t17-/m0/s1