N-(3-nitrophenyl)-2-[6-oxidanylidene-4-phenyl-2-(phenylmethylsulfanyl)pyrimidin-1-yl]ethanamide

Systemtic Name: N-(3-nitrophenyl)-2-[6-oxidanylidene-4-phenyl-2-(phenylmethylsulfanyl)pyrimidin-1-yl]ethanamide Openeye Name: 2-(2-benzylsulfanyl-6-oxo-4-phenyl-pyrimidin-1-yl)-N-(3-nitrophenyl)acetamide CAS Name: N-(3-nitrophenyl)-2-[6-oxo-4-phenyl-2-(phenylmethylthio)-1-pyrimidinyl]acetamide IUPAC Name: 2-(2-benzylsulfanyl-6-oxo-4-phenylpyrimidin-1-yl)-N-(3-nitrophenyl)acetamide Traditional Name: 2-[2-(benzylthio)-6-keto-4-phenyl-pyrimidin-1-yl]-N-(3-nitrophenyl)acetamide Formula: C25H20N4O4S MolecularWeight: 472.5157

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC(=CC(=O)N2CC(=O)NC3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC(=CC(=O)N2CC(=O)NC3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C25H20N4O4S/c30-23(26-20-12-7-13-21(14-20)29(32)33)16-28-24(31)15-22(19-10-5-2-6-11-19)27-25(28)34-17-18-8-3-1-4-9-18/h1-15H,16-17H2,(H,26,30)