ethyl 2,6-bis(3-nitrophenyl)-4-oxidanylidene-5-phenylsulfanyl-1H-pyridine-3-carboxylate

Systemtic Name: ethyl 2,6-bis(3-nitrophenyl)-4-oxidanylidene-5-phenylsulfanyl-1H-pyridine-3-carboxylate Openeye Name: ethyl 2,6-bis(3-nitrophenyl)-4-oxo-5-phenylsulfanyl-1H-pyridine-3-carboxylate CAS Name: 2,6-bis(3-nitrophenyl)-4-oxo-5-(phenylthio)-1H-pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,6-bis(3-nitrophenyl)-4-oxo-5-phenylsulfanyl-1H-pyridine-3-carboxylate Traditional Name: 4-keto-2,6-bis(3-nitrophenyl)-5-(phenylthio)-1H-pyridine-3-carboxylic acid ethyl ester Formula: C26H19N3O7S MolecularWeight: 517.50996

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1=O)SC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1=O)SC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H19N3O7S/c1-2-36-26(31)21-22(16-8-6-10-18(14-16)28(32)33)27-23(17-9-7-11-19(15-17)29(34)35)25(24(21)30)37-20-12-4-3-5-13-20/h3-15H,2H2,1H3,(H,27,30)