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

Systemtic Name: (E)-3-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-1-(4-pyrrol-1-ylphenyl)prop-2-en-1-one Openeye Name: (E)-3-[4-methoxy-3-(2-pyridylsulfanylmethyl)phenyl]-1-(4-pyrrol-1-ylphenyl)prop-2-en-1-one CAS Name: (E)-3-[4-methoxy-3-[(2-pyridinylthio)methyl]phenyl]-1-[4-(1-pyrrolyl)phenyl]-2-propen-1-one IUPAC Name: (E)-3-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-1-(4-pyrrol-1-ylphenyl)prop-2-en-1-one Traditional Name: (E)-3-[4-methoxy-3-[(2-pyridylthio)methyl]phenyl]-1-(4-pyrrol-1-ylphenyl)prop-2-en-1-one Formula: C26H22N2O2S MolecularWeight: 426.53008

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)C2=CC=C(C=C2)N3C=CC=C3)CSC4=CC=CC=N4

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)N3C=CC=C3)CSC4=CC=CC=N4

InChI

InChI=1S/C26H22N2O2S/c1-30-25-14-8-20(18-22(25)19-31-26-6-2-3-15-27-26)7-13-24(29)21-9-11-23(12-10-21)28-16-4-5-17-28/h2-18H,19H2,1H3/b13-7+