(E)-2-cyano-N-(2,6-dimethylphenyl)-3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-enamide

Systemtic Name: (E)-2-cyano-N-(2,6-dimethylphenyl)-3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-enamide Openeye Name: (E)-2-cyano-N-(2,6-dimethylphenyl)-3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]prop-2-enamide CAS Name: (E)-2-cyano-N-(2,6-dimethylphenyl)-3-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)-2-propenamide IUPAC Name: (E)-2-cyano-N-(2,6-dimethylphenyl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide Traditional Name: (E)-2-cyano-N-(2,6-dimethylphenyl)-3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]acrylamide Formula: C25H20N4OS MolecularWeight: 424.5175

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C(=CC2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4)C#N

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)/C(=C/C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4)/C#N

InChI

InChI=1S/C25H20N4OS/c1-17-8-6-9-18(2)23(17)27-25(30)19(15-26)14-20-16-29(21-10-4-3-5-11-21)28-24(20)22-12-7-13-31-22/h3-14,16H,1-2H3,(H,27,30)/b19-14+