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

Systemtic Name: 3-(3-cyano-6-propan-2-yl-pyridin-2-yl)sulfanyl-N-(3-oxidanylidene-2-phenyl-1H-pyrazol-5-yl)propanamide Openeye Name: 3-[(3-cyano-6-isopropyl-2-pyridyl)sulfanyl]-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)propanamide CAS Name: 3-[(3-cyano-6-propan-2-yl-2-pyridinyl)thio]-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)propanamide IUPAC Name: 3-(3-cyano-6-propan-2-ylpyridin-2-yl)sulfanyl-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)propanamide Traditional Name: 3-[(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)SCCC(=O)NC2=CC(=O)N(N2)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O2S/c1-14(2)17-9-8-15(13-22)21(23-17)29-11-10-19(27)24-18-12-20(28)26(25-18)16-6-4-3-5-7-16/h3-9,12,14,25H,10-11H2,1-2H3,(H,24,27)