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

Systemtic Name: 2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanyl-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)ethanamide Openeye Name: 2-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)acetamide CAS Name: 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)acetamide IUPAC Name: 2-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide Traditional Name: 2-[(3-cyano-4,6-dimethyl-2-pyridyl)thio]-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)acetamide Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O2S/c1-13-10-14(2)23-20(17(13)11-22)29-12-18(27)24-19-15(3)25(4)26(21(19)28)16-8-6-5-7-9-16/h5-10H,12H2,1-4H3,(H,24,27)