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

Systemtic Name: 2-(3-cyano-4,5,6-trimethyl-pyridin-2-yl)sulfanyl-N-(3-oxidanylidene-2-phenyl-1H-pyrazol-5-yl)propanamide Openeye Name: 2-[(3-cyano-4,5,6-trimethyl-2-pyridyl)sulfanyl]-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)propanamide CAS Name: 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)thio]-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)propanamide IUPAC Name: 2-(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)propanamide Traditional Name: 2-[(3-cyano-4,5,6-trimethyl-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O2S/c1-12-13(2)17(11-22)21(23-14(12)3)29-15(4)20(28)24-18-10-19(27)26(25-18)16-8-6-5-7-9-16/h5-10,15,25H,1-4H3,(H,24,28)