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

Systemtic Name: (E)-2-cyano-3-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]-N-prop-2-enyl-prop-2-enamide Openeye Name: (E)-N-allyl-3-[1-benzyl-3-(2-thienyl)pyrazol-4-yl]-2-cyano-prop-2-enamide CAS Name: (E)-2-cyano-3-[1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolyl]-N-prop-2-enyl-2-propenamide IUPAC Name: (E)-3-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)-2-cyano-N-prop-2-enylprop-2-enamide Traditional Name: (E)-N-allyl-3-[1-benzyl-3-(2-thienyl)pyrazol-4-yl]-2-cyano-acrylamide Formula: C21H18N4OS MolecularWeight: 374.45882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N4OS/c1-2-10-23-21(26)17(13-22)12-18-15-25(14-16-7-4-3-5-8-16)24-20(18)19-9-6-11-27-19/h2-9,11-12,15H,1,10,14H2,(H,23,26)/b17-12+