(E)-3-[1-(phenylmethyl)pyrazol-4-yl]-1-thiophen-2-yl-prop-2-en-1-one

Systemtic Name: (E)-3-[1-(phenylmethyl)pyrazol-4-yl]-1-thiophen-2-yl-prop-2-en-1-one Openeye Name: (E)-3-(1-benzylpyrazol-4-yl)-1-(2-thienyl)prop-2-en-1-one CAS Name: (E)-3-[1-(phenylmethyl)-4-pyrazolyl]-1-thiophen-2-yl-2-propen-1-one IUPAC Name: (E)-3-(1-benzylpyrazol-4-yl)-1-thiophen-2-ylprop-2-en-1-one Traditional Name: (E)-3-(1-benzylpyrazol-4-yl)-1-(2-thienyl)prop-2-en-1-one Formula: C17H14N2OS MolecularWeight: 294.37086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C=N2)C=CC(=O)C3=CC=CS3

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C=N2)/C=C/C(=O)C3=CC=CS3

InChI

InChI=1S/C17H14N2OS/c20-16(17-7-4-10-21-17)9-8-15-11-18-19(13-15)12-14-5-2-1-3-6-14/h1-11,13H,12H2/b9-8+