3-(6-butyl-3-cyano-pyridin-2-yl)sulfanyl-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)propanamide

Systemtic Name: 3-(6-butyl-3-cyano-pyridin-2-yl)sulfanyl-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)propanamide Openeye Name: 3-[(6-butyl-3-cyano-2-pyridyl)sulfanyl]-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)propanamide CAS Name: 3-[(6-butyl-3-cyano-2-pyridinyl)thio]-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)propanamide IUPAC Name: 3-(6-butyl-3-cyanopyridin-2-yl)sulfanyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide Traditional Name: 3-[(6-butyl-3-cyano-2-pyridyl)thio]-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)propionamide Formula: C24H27N5O2S MolecularWeight: 449.56848

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(C=C1)C#N)SCCC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C

Isomeric SMILES

CCCCC1=NC(=C(C=C1)C#N)SCCC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C

InChI

InChI=1S/C24H27N5O2S/c1-4-5-9-19-13-12-18(16-25)23(26-19)32-15-14-21(30)27-22-17(2)28(3)29(24(22)31)20-10-7-6-8-11-20/h6-8,10-13H,4-5,9,14-15H2,1-3H3,(H,27,30)