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

Systemtic Name: (Z)-2-cyano-3-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]-N-propan-2-yl-prop-2-enamide Openeye Name: (Z)-3-[1-benzyl-3-(2-thienyl)pyrazol-4-yl]-2-cyano-N-isopropyl-prop-2-enamide CAS Name: (Z)-2-cyano-3-[1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolyl]-N-propan-2-yl-2-propenamide IUPAC Name: (Z)-3-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)-2-cyano-N-propan-2-ylprop-2-enamide Traditional Name: (Z)-3-[1-benzyl-3-(2-thienyl)pyrazol-4-yl]-2-cyano-N-isopropyl-acrylamide Formula: C21H20N4OS MolecularWeight: 376.4747

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C(=CC1=CN(N=C1C2=CC=CS2)CC3=CC=CC=C3)C#N

Isomeric SMILES

CC(C)NC(=O)/C(=C\C1=CN(N=C1C2=CC=CS2)CC3=CC=CC=C3)/C#N

InChI

InChI=1S/C21H20N4OS/c1-15(2)23-21(26)17(12-22)11-18-14-25(13-16-7-4-3-5-8-16)24-20(18)19-9-6-10-27-19/h3-11,14-15H,13H2,1-2H3,(H,23,26)/b17-11-