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

Systemtic Name: (Z)-N-butyl-2-cyano-3-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]prop-2-enamide Openeye Name: (Z)-3-[1-benzyl-3-(2-thienyl)pyrazol-4-yl]-N-butyl-2-cyano-prop-2-enamide CAS Name: (Z)-N-butyl-2-cyano-3-[1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolyl]-2-propenamide IUPAC Name: (Z)-3-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)-N-butyl-2-cyanoprop-2-enamide Traditional Name: (Z)-3-[1-benzyl-3-(2-thienyl)pyrazol-4-yl]-N-butyl-2-cyano-acrylamide Formula: C22H22N4OS MolecularWeight: 390.50128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4OS/c1-2-3-11-24-22(27)18(14-23)13-19-16-26(15-17-8-5-4-6-9-17)25-21(19)20-10-7-12-28-20/h4-10,12-13,16H,2-3,11,15H2,1H3,(H,24,27)/b18-13-