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

Systemtic Name: (E)-1-(3-fluoranyl-4-methoxy-phenyl)-3-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]prop-2-en-1-one Openeye Name: (E)-3-[1-benzyl-3-(2-thienyl)pyrazol-4-yl]-1-(3-fluoro-4-methoxy-phenyl)prop-2-en-1-one CAS Name: (E)-1-(3-fluoro-4-methoxyphenyl)-3-[1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolyl]-2-propen-1-one IUPAC Name: (E)-3-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)-1-(3-fluoro-4-methoxyphenyl)prop-2-en-1-one Traditional Name: (E)-3-[1-benzyl-3-(2-thienyl)pyrazol-4-yl]-1-(3-fluoro-4-methoxy-phenyl)prop-2-en-1-one Formula: C24H19FN2O2S MolecularWeight: 418.483263

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C=CC2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4)F

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)/C=C/C2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4)F

InChI

InChI=1S/C24H19FN2O2S/c1-29-22-12-10-18(14-20(22)25)21(28)11-9-19-16-27(15-17-6-3-2-4-7-17)26-24(19)23-8-5-13-30-23/h2-14,16H,15H2,1H3/b11-9+