2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-4-methoxy-phenyl]-2,3-dihydrochromen-4-one

Systemtic Name: 2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-4-methoxy-phenyl]-2,3-dihydrochromen-4-one Openeye Name: 2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-4-methoxy-phenyl]chroman-4-one CAS Name: 2-[3-[(1H-benzimidazol-2-ylthio)methyl]-4-methoxyphenyl]-3,4-dihydro-2H-1-benzopyran-4-one IUPAC Name: 2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-4-methoxyphenyl]-2,3-dihydrochromen-4-one Traditional Name: 2-[3-[(1H-benzimidazol-2-ylthio)methyl]-4-methoxy-phenyl]chroman-4-one Formula: C24H20N2O3S MolecularWeight: 416.4922

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CC(=O)C3=CC=CC=C3O2)CSC4=NC5=CC=CC=C5N4

Isomeric SMILES

COC1=C(C=C(C=C1)C2CC(=O)C3=CC=CC=C3O2)CSC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C24H20N2O3S/c1-28-21-11-10-15(23-13-20(27)17-6-2-5-9-22(17)29-23)12-16(21)14-30-24-25-18-7-3-4-8-19(18)26-24/h2-12,23H,13-14H2,1H3,(H,25,26)