N-(2-nitrophenyl)-2-[(4-oxidanyl-6-oxidanylidene-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(2-nitrophenyl)-2-[(4-oxidanyl-6-oxidanylidene-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]ethanamide Openeye Name: 2-[(4-hydroxy-6-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(2-nitrophenyl)acetamide CAS Name: 2-[(4-hydroxy-6-oxo-5-phenyl-1H-pyrimidin-2-yl)thio]-N-(2-nitrophenyl)acetamide IUPAC Name: 2-[(4-hydroxy-6-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(2-nitrophenyl)acetamide Traditional Name: 2-[(4-hydroxy-6-keto-5-phenyl-1H-pyrimidin-2-yl)thio]-N-(2-nitrophenyl)acetamide Formula: C18H14N4O5S MolecularWeight: 398.39256

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N=C(NC2=O)SCC(=O)NC3=CC=CC=C3[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N=C(NC2=O)SCC(=O)NC3=CC=CC=C3[N+](=O)[O-])O

InChI

InChI=1S/C18H14N4O5S/c23-14(19-12-8-4-5-9-13(12)22(26)27)10-28-18-20-16(24)15(17(25)21-18)11-6-2-1-3-7-11/h1-9H,10H2,(H,19,23)(H2,20,21,24,25)