methyl (6R)-6-(4-nitrophenyl)-3-phenyl-4-propyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl (6R)-6-(4-nitrophenyl)-3-phenyl-4-propyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6R)-6-(4-nitrophenyl)-3-phenyl-4-propyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6R)-6-(4-nitrophenyl)-3-phenyl-4-propyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6R)-6-(4-nitrophenyl)-3-phenyl-4-propyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6R)-6-(4-nitrophenyl)-3-phenyl-4-propyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(NC(=S)N1C2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CCCC1=C([C@H](NC(=S)N1C2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C21H21N3O4S/c1-3-7-17-18(20(25)28-2)19(14-10-12-16(13-11-14)24(26)27)22-21(29)23(17)15-8-5-4-6-9-15/h4-6,8-13,19H,3,7H2,1-2H3,(H,22,29)/t19-/m1/s1