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

Systemtic Name: (E)-3-[4-methoxy-3-(thiomorpholin-4-ylmethyl)phenyl]-1-(1-methylpyrazol-3-yl)prop-2-en-1-one Openeye Name: (E)-3-[4-methoxy-3-(thiomorpholinomethyl)phenyl]-1-(1-methylpyrazol-3-yl)prop-2-en-1-one CAS Name: (E)-3-[4-methoxy-3-(thiomorpholin-4-ylmethyl)phenyl]-1-(1-methyl-3-pyrazolyl)-2-propen-1-one IUPAC Name: (E)-3-[4-methoxy-3-(thiomorpholin-4-ylmethyl)phenyl]-1-(1-methylpyrazol-3-yl)prop-2-en-1-one Traditional Name: (E)-3-[4-methoxy-3-(thiomorpholinomethyl)phenyl]-1-(1-methylpyrazol-3-yl)prop-2-en-1-one Formula: C19H23N3O2S MolecularWeight: 357.46982

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=N1)C(=O)C=CC2=CC(=C(C=C2)OC)CN3CCSCC3

Isomeric SMILES

CN1C=CC(=N1)C(=O)/C=C/C2=CC(=C(C=C2)OC)CN3CCSCC3

InChI

InChI=1S/C19H23N3O2S/c1-21-8-7-17(20-21)18(23)5-3-15-4-6-19(24-2)16(13-15)14-22-9-11-25-12-10-22/h3-8,13H,9-12,14H2,1-2H3/b5-3+