2-[3-cyano-6-(4-methoxyphenyl)pyridin-2-yl]sulfanyl-N-(3-oxidanylidene-2-phenyl-1H-pyrazol-5-yl)butanamide

Systemtic Name: 2-[3-cyano-6-(4-methoxyphenyl)pyridin-2-yl]sulfanyl-N-(3-oxidanylidene-2-phenyl-1H-pyrazol-5-yl)butanamide Openeye Name: 2-[[3-cyano-6-(4-methoxyphenyl)-2-pyridyl]sulfanyl]-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)butanamide CAS Name: 2-[[3-cyano-6-(4-methoxyphenyl)-2-pyridinyl]thio]-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)butanamide IUPAC Name: 2-[3-cyano-6-(4-methoxyphenyl)pyridin-2-yl]sulfanyl-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)butanamide Traditional Name: 2-[[3-cyano-6-(4-methoxyphenyl)-2-pyridyl]thio]-N-(5-keto-1-phenyl-3-pyrazolin-3-yl)butyramide Formula: C26H23N5O3S MolecularWeight: 485.55752

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=O)N(N1)C2=CC=CC=C2)SC3=C(C=CC(=N3)C4=CC=C(C=C4)OC)C#N

Isomeric SMILES

CCC(C(=O)NC1=CC(=O)N(N1)C2=CC=CC=C2)SC3=C(C=CC(=N3)C4=CC=C(C=C4)OC)C#N

InChI

InChI=1S/C26H23N5O3S/c1-3-22(25(33)29-23-15-24(32)31(30-23)19-7-5-4-6-8-19)35-26-18(16-27)11-14-21(28-26)17-9-12-20(34-2)13-10-17/h4-15,22,30H,3H2,1-2H3,(H,29,33)