(E)-1-(2,5-dimethylthiophen-3-yl)-3-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]prop-2-en-1-one

Systemtic Name: (E)-1-(2,5-dimethylthiophen-3-yl)-3-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]prop-2-en-1-one Openeye Name: (E)-1-(2,5-dimethyl-3-thienyl)-3-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]prop-2-en-1-one CAS Name: (E)-1-(2,5-dimethyl-3-thiophenyl)-3-[4-methoxy-3-(1-pyrazolylmethyl)phenyl]-2-propen-1-one IUPAC Name: (E)-1-(2,5-dimethylthiophen-3-yl)-3-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]prop-2-en-1-one Traditional Name: (E)-1-(2,5-dimethyl-3-thienyl)-3-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]prop-2-en-1-one Formula: C20H20N2O2S MolecularWeight: 352.45

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C(=O)C=CC2=CC(=C(C=C2)OC)CN3C=CC=N3

Isomeric SMILES

CC1=CC(=C(S1)C)C(=O)/C=C/C2=CC(=C(C=C2)OC)CN3C=CC=N3

InChI

InChI=1S/C20H20N2O2S/c1-14-11-18(15(2)25-14)19(23)7-5-16-6-8-20(24-3)17(12-16)13-22-10-4-9-21-22/h4-12H,13H2,1-3H3/b7-5+