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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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