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

Systemtic Name: (E)-3-[3-methoxy-4-(phenylsulfanylmethyl)phenyl]-1-(3-pyrrol-1-ylphenyl)prop-2-en-1-one Openeye Name: (E)-3-[3-methoxy-4-(phenylsulfanylmethyl)phenyl]-1-(3-pyrrol-1-ylphenyl)prop-2-en-1-one CAS Name: (E)-3-[3-methoxy-4-[(phenylthio)methyl]phenyl]-1-[3-(1-pyrrolyl)phenyl]-2-propen-1-one IUPAC Name: (E)-3-[3-methoxy-4-(phenylsulfanylmethyl)phenyl]-1-(3-pyrrol-1-ylphenyl)prop-2-en-1-one Traditional Name: (E)-3-[3-methoxy-4-[(phenylthio)methyl]phenyl]-1-(3-pyrrol-1-ylphenyl)prop-2-en-1-one Formula: C27H23NO2S MolecularWeight: 425.54202

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)C2=CC(=CC=C2)N3C=CC=C3)CSC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)C2=CC(=CC=C2)N3C=CC=C3)CSC4=CC=CC=C4

InChI

InChI=1S/C27H23NO2S/c1-30-27-18-21(12-14-23(27)20-31-25-10-3-2-4-11-25)13-15-26(29)22-8-7-9-24(19-22)28-16-5-6-17-28/h2-19H,20H2,1H3/b15-13+