(E)-2-cyano-N-(1-phenylethyl)-3-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]prop-2-enamide

Systemtic Name: (E)-2-cyano-N-(1-phenylethyl)-3-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]prop-2-enamide Openeye Name: (E)-3-[1-benzyl-3-(2-thienyl)pyrazol-4-yl]-2-cyano-N-(1-phenylethyl)prop-2-enamide CAS Name: (E)-2-cyano-N-(1-phenylethyl)-3-[1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolyl]-2-propenamide IUPAC Name: (E)-3-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)-2-cyano-N-(1-phenylethyl)prop-2-enamide Traditional Name: (E)-3-[1-benzyl-3-(2-thienyl)pyrazol-4-yl]-2-cyano-N-(1-phenylethyl)acrylamide Formula: C26H22N4OS MolecularWeight: 438.54408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C(=CC2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4)C#N

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)/C(=C/C2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4)/C#N

InChI

InChI=1S/C26H22N4OS/c1-19(21-11-6-3-7-12-21)28-26(31)22(16-27)15-23-18-30(17-20-9-4-2-5-10-20)29-25(23)24-13-8-14-32-24/h2-15,18-19H,17H2,1H3,(H,28,31)/b22-15+