2-cyano-N-[(E)-[(4S)-3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl]methylideneamino]ethanamide

Systemtic Name: 2-cyano-N-[(E)-[(4S)-3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl]methylideneamino]ethanamide Openeye Name: 2-cyano-N-[(E)-[(4S)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]methyleneamino]acetamide CAS Name: 2-cyano-N-[(E)-[(4S)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]methylideneamino]acetamide IUPAC Name: 2-cyano-N-[(E)-[(4S)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]methylideneamino]acetamide Traditional Name: 2-cyano-N-[(E)-[(4S)-5-keto-3-methyl-1-phenyl-2-pyrazolin-4-yl]methyleneamino]acetamide Formula: C14H13N5O2 MolecularWeight: 283.28532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1C=NNC(=O)CC#N)C2=CC=CC=C2

Isomeric SMILES

CC1=NN(C(=O)[C@H]1/C=N/NC(=O)CC#N)C2=CC=CC=C2

InChI

InChI=1S/C14H13N5O2/c1-10-12(9-16-17-13(20)7-8-15)14(21)19(18-10)11-5-3-2-4-6-11/h2-6,9,12H,7H2,1H3,(H,17,20)/b16-9+/t12-/m0/s1