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

Systemtic Name: (E)-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]prop-2-enamide CAS Name: (E)-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)-N-prop-2-enylprop-2-enamide Traditional Name: (E)-N-allyl-3-[1-benzyl-3-(2-thienyl)pyrazol-4-yl]acrylamide Formula: C20H19N3OS MolecularWeight: 349.44936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3OS/c1-2-12-21-19(24)11-10-17-15-23(14-16-7-4-3-5-8-16)22-20(17)18-9-6-13-25-18/h2-11,13,15H,1,12,14H2,(H,21,24)/b11-10+