2-(3-cyano-6-propyl-pyridin-2-yl)sulfanyl-N-(3-oxidanylidene-2-phenyl-1H-pyrazol-5-yl)butanamide

Systemtic Name: 2-(3-cyano-6-propyl-pyridin-2-yl)sulfanyl-N-(3-oxidanylidene-2-phenyl-1H-pyrazol-5-yl)butanamide Openeye Name: 2-[(3-cyano-6-propyl-2-pyridyl)sulfanyl]-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)butanamide CAS Name: 2-[(3-cyano-6-propyl-2-pyridinyl)thio]-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)butanamide IUPAC Name: 2-(3-cyano-6-propylpyridin-2-yl)sulfanyl-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)butanamide Traditional Name: 2-[(3-cyano-6-propyl-2-pyridyl)thio]-N-(5-keto-1-phenyl-3-pyrazolin-3-yl)butyramide Formula: C22H23N5O2S MolecularWeight: 421.51532

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=C(C=C1)C#N)SC(CC)C(=O)NC2=CC(=O)N(N2)C3=CC=CC=C3

Isomeric SMILES

CCCC1=NC(=C(C=C1)C#N)SC(CC)C(=O)NC2=CC(=O)N(N2)C3=CC=CC=C3

InChI

InChI=1S/C22H23N5O2S/c1-3-8-16-12-11-15(14-23)22(24-16)30-18(4-2)21(29)25-19-13-20(28)27(26-19)17-9-6-5-7-10-17/h5-7,9-13,18,26H,3-4,8H2,1-2H3,(H,25,29)