(E)-3-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-4-methoxy-phenyl]-1-(1-oxidanylnaphthalen-2-yl)prop-2-en-1-one

Systemtic Name: (E)-3-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-4-methoxy-phenyl]-1-(1-oxidanylnaphthalen-2-yl)prop-2-en-1-one Openeye Name: (E)-3-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-4-methoxy-phenyl]-1-(1-hydroxy-2-naphthyl)prop-2-en-1-one CAS Name: (E)-3-[3-[(1H-benzimidazol-2-ylthio)methyl]-4-methoxyphenyl]-1-(1-hydroxy-2-naphthalenyl)-2-propen-1-one IUPAC Name: (E)-3-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-4-methoxyphenyl]-1-(1-hydroxynaphthalen-2-yl)prop-2-en-1-one Traditional Name: (E)-3-[3-[(1H-benzimidazol-2-ylthio)methyl]-4-methoxy-phenyl]-1-(1-hydroxy-2-naphthyl)prop-2-en-1-one Formula: C28H22N2O3S MolecularWeight: 466.55088

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)C2=C(C3=CC=CC=C3C=C2)O)CSC4=NC5=CC=CC=C5N4

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)C2=C(C3=CC=CC=C3C=C2)O)CSC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C28H22N2O3S/c1-33-26-15-11-18(16-20(26)17-34-28-29-23-8-4-5-9-24(23)30-28)10-14-25(31)22-13-12-19-6-2-3-7-21(19)27(22)32/h2-16,32H,17H2,1H3,(H,29,30)/b14-10+