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

Systemtic Name: (2R)-2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanyl-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)propanamide Openeye Name: (2R)-2-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)propanamide CAS Name: (2R)-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)propanamide IUPAC Name: (2R)-2-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide Traditional Name: (2R)-2-[(3-cyano-4,6-dimethyl-2-pyridyl)thio]-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)propionamide Formula: C22H23N5O2S MolecularWeight: 421.51532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SC(C)C(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)S[C@H](C)C(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C

InChI

InChI=1S/C22H23N5O2S/c1-13-11-14(2)24-21(18(13)12-23)30-16(4)20(28)25-19-15(3)26(5)27(22(19)29)17-9-7-6-8-10-17/h6-11,16H,1-5H3,(H,25,28)/t16-/m1/s1