N-(3-nitrophenyl)-2-(6-oxidanylidene-2-phenethylsulfanyl-4-phenyl-pyrimidin-1-yl)ethanamide

Systemtic Name: N-(3-nitrophenyl)-2-(6-oxidanylidene-2-phenethylsulfanyl-4-phenyl-pyrimidin-1-yl)ethanamide Openeye Name: N-(3-nitrophenyl)-2-(6-oxo-2-phenethylsulfanyl-4-phenyl-pyrimidin-1-yl)acetamide CAS Name: N-(3-nitrophenyl)-2-[6-oxo-2-(phenethylthio)-4-phenyl-1-pyrimidinyl]acetamide IUPAC Name: N-(3-nitrophenyl)-2-(6-oxo-2-phenethylsulfanyl-4-phenylpyrimidin-1-yl)acetamide Traditional Name: 2-[6-keto-2-(phenethylthio)-4-phenyl-pyrimidin-1-yl]-N-(3-nitrophenyl)acetamide Formula: C26H22N4O4S MolecularWeight: 486.54228

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCSC2=NC(=CC(=O)N2CC(=O)NC3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCSC2=NC(=CC(=O)N2CC(=O)NC3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C26H22N4O4S/c31-24(27-21-12-7-13-22(16-21)30(33)34)18-29-25(32)17-23(20-10-5-2-6-11-20)28-26(29)35-15-14-19-8-3-1-4-9-19/h1-13,16-17H,14-15,18H2,(H,27,31)