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

Systemtic Name: 2-(3-cyano-6-propyl-pyridin-2-yl)sulfanyl-N-(3-oxidanylidene-2-phenyl-1H-pyrazol-5-yl)propanamide Openeye Name: 2-[(3-cyano-6-propyl-2-pyridyl)sulfanyl]-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)propanamide CAS Name: 2-[(3-cyano-6-propyl-2-pyridinyl)thio]-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)propanamide IUPAC Name: 2-(3-cyano-6-propylpyridin-2-yl)sulfanyl-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)propanamide Traditional Name: 2-[(3-cyano-6-propyl-2-pyridyl)thio]-N-(5-keto-1-phenyl-3-pyrazolin-3-yl)propionamide Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O2S/c1-3-7-16-11-10-15(13-22)21(23-16)29-14(2)20(28)24-18-12-19(27)26(25-18)17-8-5-4-6-9-17/h4-6,8-12,14,25H,3,7H2,1-2H3,(H,24,28)