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

Systemtic Name: (E)-2-cyano-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-(5-ethylthiophen-2-yl)prop-2-enamide Openeye Name: (E)-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-(5-ethyl-2-thienyl)prop-2-enamide CAS Name: (E)-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-(5-ethyl-2-thiophenyl)-2-propenamide IUPAC Name: (E)-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(5-ethylthiophen-2-yl)prop-2-enamide Traditional Name: (E)-2-cyano-3-(5-ethyl-2-thienyl)-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)acrylamide Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)C=C(C#N)C(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C

Isomeric SMILES

CCC1=CC=C(S1)/C=C(\C#N)/C(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C

InChI

InChI=1S/C21H20N4O2S/c1-4-17-10-11-18(28-17)12-15(13-22)20(26)23-19-14(2)24(3)25(21(19)27)16-8-6-5-7-9-16/h5-12H,4H2,1-3H3,(H,23,26)/b15-12+