(E)-2-cyano-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-methylsulfanyl-3-phenylazanyl-prop-2-enamide

Systemtic Name: (E)-2-cyano-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-methylsulfanyl-3-phenylazanyl-prop-2-enamide Openeye Name: (E)-3-anilino-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-methylsulfanyl-prop-2-enamide CAS Name: (E)-3-anilino-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-(methylthio)-2-propenamide IUPAC Name: (E)-3-anilino-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methylsulfanylprop-2-enamide Traditional Name: (E)-3-anilino-2-cyano-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-3-(methylthio)acrylamide Formula: C22H21N5O2S MolecularWeight: 419.49944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(=C(NC3=CC=CC=C3)SC)C#N

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)/C(=C(\NC3=CC=CC=C3)/SC)/C#N

InChI

InChI=1S/C22H21N5O2S/c1-15-19(22(29)27(26(15)2)17-12-8-5-9-13-17)25-20(28)18(14-23)21(30-3)24-16-10-6-4-7-11-16/h4-13,24H,1-3H3,(H,25,28)/b21-18+