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

Systemtic Name: (E)-3-[3-methoxy-4-(phenylsulfanylmethyl)phenyl]-1-(1-methylpyrazol-3-yl)prop-2-en-1-one Openeye Name: (E)-3-[3-methoxy-4-(phenylsulfanylmethyl)phenyl]-1-(1-methylpyrazol-3-yl)prop-2-en-1-one CAS Name: (E)-3-[3-methoxy-4-[(phenylthio)methyl]phenyl]-1-(1-methyl-3-pyrazolyl)-2-propen-1-one IUPAC Name: (E)-3-[3-methoxy-4-(phenylsulfanylmethyl)phenyl]-1-(1-methylpyrazol-3-yl)prop-2-en-1-one Traditional Name: (E)-3-[3-methoxy-4-[(phenylthio)methyl]phenyl]-1-(1-methylpyrazol-3-yl)prop-2-en-1-one Formula: C21H20N2O2S MolecularWeight: 364.4607

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=N1)C(=O)C=CC2=CC(=C(C=C2)CSC3=CC=CC=C3)OC

Isomeric SMILES

CN1C=CC(=N1)C(=O)/C=C/C2=CC(=C(C=C2)CSC3=CC=CC=C3)OC

InChI

InChI=1S/C21H20N2O2S/c1-23-13-12-19(22-23)20(24)11-9-16-8-10-17(21(14-16)25-2)15-26-18-6-4-3-5-7-18/h3-14H,15H2,1-2H3/b11-9+