(E)-3-[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]-1-thiophen-2-yl-prop-2-en-1-one

Systemtic Name: (E)-3-[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]-1-thiophen-2-yl-prop-2-en-1-one Openeye Name: (E)-3-(1-benzyl-3,5-dimethyl-pyrazol-4-yl)-1-(2-thienyl)prop-2-en-1-one CAS Name: (E)-3-[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]-1-thiophen-2-yl-2-propen-1-one IUPAC Name: (E)-3-(1-benzyl-3,5-dimethylpyrazol-4-yl)-1-thiophen-2-ylprop-2-en-1-one Traditional Name: (E)-3-(1-benzyl-3,5-dimethyl-pyrazol-4-yl)-1-(2-thienyl)prop-2-en-1-one Formula: C19H18N2OS MolecularWeight: 322.42402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)C=CC(=O)C3=CC=CS3

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)/C=C/C(=O)C3=CC=CS3

InChI

InChI=1S/C19H18N2OS/c1-14-17(10-11-18(22)19-9-6-12-23-19)15(2)21(20-14)13-16-7-4-3-5-8-16/h3-12H,13H2,1-2H3/b11-10+