(4S)-6-methyl-4-(5-nitro-2-oxidanyl-phenyl)-N-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide

Systemtic Name: (4S)-6-methyl-4-(5-nitro-2-oxidanyl-phenyl)-N-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Openeye Name: (4S)-4-(2-hydroxy-5-nitro-phenyl)-6-methyl-N-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide CAS Name: (4S)-4-(2-hydroxy-5-nitrophenyl)-6-methyl-N-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide IUPAC Name: (4S)-4-(2-hydroxy-5-nitrophenyl)-6-methyl-N-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Traditional Name: (4S)-4-(2-hydroxy-5-nitro-phenyl)-6-methyl-N-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide Formula: C18H16N4O4S MolecularWeight: 384.40904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=C(C=CC(=C2)[N+](=O)[O-])O)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=C([C@@H](NC(=S)N1)C2=C(C=CC(=C2)[N+](=O)[O-])O)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C18H16N4O4S/c1-10-15(17(24)20-11-5-3-2-4-6-11)16(21-18(27)19-10)13-9-12(22(25)26)7-8-14(13)23/h2-9,16,23H,1H3,(H,20,24)(H2,19,21,27)/t16-/m0/s1