(E)-3-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-1-(1-methylpyrazol-4-yl)prop-2-en-1-one

Systemtic Name: (E)-3-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-1-(1-methylpyrazol-4-yl)prop-2-en-1-one Openeye Name: (E)-3-[4-methoxy-3-(2-pyridylsulfanylmethyl)phenyl]-1-(1-methylpyrazol-4-yl)prop-2-en-1-one CAS Name: (E)-3-[4-methoxy-3-[(2-pyridinylthio)methyl]phenyl]-1-(1-methyl-4-pyrazolyl)-2-propen-1-one IUPAC Name: (E)-3-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-1-(1-methylpyrazol-4-yl)prop-2-en-1-one Traditional Name: (E)-3-[4-methoxy-3-[(2-pyridylthio)methyl]phenyl]-1-(1-methylpyrazol-4-yl)prop-2-en-1-one Formula: C20H19N3O2S MolecularWeight: 365.44876

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C(=O)C=CC2=CC(=C(C=C2)OC)CSC3=CC=CC=N3

Isomeric SMILES

CN1C=C(C=N1)C(=O)/C=C/C2=CC(=C(C=C2)OC)CSC3=CC=CC=N3

InChI

InChI=1S/C20H19N3O2S/c1-23-13-17(12-22-23)18(24)8-6-15-7-9-19(25-2)16(11-15)14-26-20-5-3-4-10-21-20/h3-13H,14H2,1-2H3/b8-6+