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

Systemtic Name: 3-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanyl-N-(3-oxidanylidene-2-phenyl-1H-pyrazol-5-yl)propanamide Openeye Name: 3-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)propanamide CAS Name: 3-[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)propanamide IUPAC Name: 3-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)propanamide Traditional Name: 3-[(3-cyano-4,6-dimethyl-2-pyridyl)thio]-N-(5-keto-1-phenyl-3-pyrazolin-3-yl)propionamide Formula: C20H19N5O2S MolecularWeight: 393.46216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCCC(=O)NC2=CC(=O)N(N2)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCCC(=O)NC2=CC(=O)N(N2)C3=CC=CC=C3)C

InChI

InChI=1S/C20H19N5O2S/c1-13-10-14(2)22-20(16(13)12-21)28-9-8-18(26)23-17-11-19(27)25(24-17)15-6-4-3-5-7-15/h3-7,10-11,24H,8-9H2,1-2H3,(H,23,26)