6-[2-[3,4-bis(oxidanyl)phenyl]-2-oxidanylidene-ethyl]sulfanyl-5-cyano-2-methyl-4-(2-nitrophenyl)-N-phenyl-pyridine-3-carboxamide

Systemtic Name: 6-[2-[3,4-bis(oxidanyl)phenyl]-2-oxidanylidene-ethyl]sulfanyl-5-cyano-2-methyl-4-(2-nitrophenyl)-N-phenyl-pyridine-3-carboxamide Openeye Name: 5-cyano-6-[2-(3,4-dihydroxyphenyl)-2-oxo-ethyl]sulfanyl-2-methyl-4-(2-nitrophenyl)-N-phenyl-pyridine-3-carboxamide CAS Name: 5-cyano-6-[[2-(3,4-dihydroxyphenyl)-2-oxoethyl]thio]-2-methyl-4-(2-nitrophenyl)-N-phenyl-3-pyridinecarboxamide IUPAC Name: 5-cyano-6-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-2-methyl-4-(2-nitrophenyl)-N-phenylpyridine-3-carboxamide Traditional Name: 5-cyano-6-[[2-(3,4-dihydroxyphenyl)-2-keto-ethyl]thio]-2-methyl-4-(2-nitrophenyl)-N-phenyl-nicotinamide Formula: C28H20N4O6S MolecularWeight: 540.5466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=N1)SCC(=O)C2=CC(=C(C=C2)O)O)C#N)C3=CC=CC=C3[N+](=O)[O-])C(=O)NC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=C(C(=N1)SCC(=O)C2=CC(=C(C=C2)O)O)C#N)C3=CC=CC=C3[N+](=O)[O-])C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C28H20N4O6S/c1-16-25(27(36)31-18-7-3-2-4-8-18)26(19-9-5-6-10-21(19)32(37)38)20(14-29)28(30-16)39-15-24(35)17-11-12-22(33)23(34)13-17/h2-13,33-34H,15H2,1H3,(H,31,36)