6-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethylsulfanyl]-5-cyano-4-(4-ethoxyphenyl)-2-methyl-N-phenyl-pyridine-3-carboxamide

Systemtic Name: 6-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethylsulfanyl]-5-cyano-4-(4-ethoxyphenyl)-2-methyl-N-phenyl-pyridine-3-carboxamide Openeye Name: 5-cyano-6-[2-(1,3-dioxoisoindolin-2-yl)ethylsulfanyl]-4-(4-ethoxyphenyl)-2-methyl-N-phenyl-pyridine-3-carboxamide CAS Name: 5-cyano-6-[2-(1,3-dioxo-2-isoindolyl)ethylthio]-4-(4-ethoxyphenyl)-2-methyl-N-phenyl-3-pyridinecarboxamide IUPAC Name: 5-cyano-6-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]-4-(4-ethoxyphenyl)-2-methyl-N-phenylpyridine-3-carboxamide Traditional Name: 5-cyano-2-methyl-N-phenyl-6-(2-phthalimidoethylthio)-4-p-phenetyl-nicotinamide Formula: C32H26N4O4S MolecularWeight: 562.63824

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C(C(=NC(=C2C(=O)NC3=CC=CC=C3)C)SCCN4C(=O)C5=CC=CC=C5C4=O)C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C(C(=NC(=C2C(=O)NC3=CC=CC=C3)C)SCCN4C(=O)C5=CC=CC=C5C4=O)C#N

InChI

InChI=1S/C32H26N4O4S/c1-3-40-23-15-13-21(14-16-23)28-26(19-33)30(34-20(2)27(28)29(37)35-22-9-5-4-6-10-22)41-18-17-36-31(38)24-11-7-8-12-25(24)32(36)39/h4-16H,3,17-18H2,1-2H3,(H,35,37)