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

Systemtic Name: (E)-3-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-1-thiophen-2-yl-prop-2-en-1-one Openeye Name: (E)-3-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-1-(2-thienyl)prop-2-en-1-one CAS Name: (E)-3-[4-methoxy-3-(1-pyrazolylmethyl)phenyl]-1-thiophen-2-yl-2-propen-1-one IUPAC Name: (E)-3-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-1-thiophen-2-ylprop-2-en-1-one Traditional Name: (E)-3-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-1-(2-thienyl)prop-2-en-1-one Formula: C18H16N2O2S MolecularWeight: 324.39684

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)C2=CC=CS2)CN3C=CC=N3

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)C2=CC=CS2)CN3C=CC=N3

InChI

InChI=1S/C18H16N2O2S/c1-22-17-8-6-14(5-7-16(21)18-4-2-11-23-18)12-15(17)13-20-10-3-9-19-20/h2-12H,13H2,1H3/b7-5+