2-[3-cyano-6-(4-methoxyphenyl)pyridin-2-yl]sulfanyl-N-(2-methyl-5-nitro-phenyl)butanamide

Systemtic Name: 2-[3-cyano-6-(4-methoxyphenyl)pyridin-2-yl]sulfanyl-N-(2-methyl-5-nitro-phenyl)butanamide Openeye Name: 2-[[3-cyano-6-(4-methoxyphenyl)-2-pyridyl]sulfanyl]-N-(2-methyl-5-nitro-phenyl)butanamide CAS Name: 2-[[3-cyano-6-(4-methoxyphenyl)-2-pyridinyl]thio]-N-(2-methyl-5-nitrophenyl)butanamide IUPAC Name: 2-[3-cyano-6-(4-methoxyphenyl)pyridin-2-yl]sulfanyl-N-(2-methyl-5-nitrophenyl)butanamide Traditional Name: 2-[[3-cyano-6-(4-methoxyphenyl)-2-pyridyl]thio]-N-(2-methyl-5-nitro-phenyl)butyramide Formula: C24H22N4O4S MolecularWeight: 462.52088

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])C)SC2=C(C=CC(=N2)C3=CC=C(C=C3)OC)C#N

Isomeric SMILES

CCC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])C)SC2=C(C=CC(=N2)C3=CC=C(C=C3)OC)C#N

InChI

InChI=1S/C24H22N4O4S/c1-4-22(23(29)26-21-13-18(28(30)31)9-5-15(21)2)33-24-17(14-25)8-12-20(27-24)16-6-10-19(32-3)11-7-16/h5-13,22H,4H2,1-3H3,(H,26,29)