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

Systemtic Name: (E)-2-cyano-N-cyclopropyl-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-cyclopropyl-prop-2-enamide CAS Name: (E)-2-cyano-N-cyclopropyl-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-cyclopropylprop-2-enamide Traditional Name: (E)-3-[1-benzyl-3-(2-thienyl)pyrazol-4-yl]-2-cyano-N-cyclopropyl-acrylamide Formula: C21H18N4OS MolecularWeight: 374.45882

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C(=CC2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4)C#N

Isomeric SMILES

C1CC1NC(=O)/C(=C/C2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4)/C#N

InChI

InChI=1S/C21H18N4OS/c22-12-16(21(26)23-18-8-9-18)11-17-14-25(13-15-5-2-1-3-6-15)24-20(17)19-7-4-10-27-19/h1-7,10-11,14,18H,8-9,13H2,(H,23,26)/b16-11+