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

Systemtic Name: 6-[2-[3,4-bis(oxidanyl)phenyl]-2-oxidanylidene-ethyl]sulfanyl-4-(4-bromophenyl)-5-cyano-2-methyl-N-phenyl-pyridine-3-carboxamide Openeye Name: 4-(4-bromophenyl)-5-cyano-6-[2-(3,4-dihydroxyphenyl)-2-oxo-ethyl]sulfanyl-2-methyl-N-phenyl-pyridine-3-carboxamide CAS Name: 4-(4-bromophenyl)-5-cyano-6-[[2-(3,4-dihydroxyphenyl)-2-oxoethyl]thio]-2-methyl-N-phenyl-3-pyridinecarboxamide IUPAC Name: 4-(4-bromophenyl)-5-cyano-6-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-2-methyl-N-phenylpyridine-3-carboxamide Traditional Name: 4-(4-bromophenyl)-5-cyano-6-[[2-(3,4-dihydroxyphenyl)-2-keto-ethyl]thio]-2-methyl-N-phenyl-nicotinamide Formula: C28H20BrN3O4S MolecularWeight: 574.4451

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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=C(C=C3)Br)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=C(C=C3)Br)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C28H20BrN3O4S/c1-16-25(27(36)32-20-5-3-2-4-6-20)26(17-7-10-19(29)11-8-17)21(14-30)28(31-16)37-15-24(35)18-9-12-22(33)23(34)13-18/h2-13,33-34H,15H2,1H3,(H,32,36)