1-[4-[(1-methyl-6-oxidanyl-benzimidazol-2-yl)methoxy]phenyl]-2-methylsulfanyl-pentan-3-one

Systemtic Name: 1-[4-[(1-methyl-6-oxidanyl-benzimidazol-2-yl)methoxy]phenyl]-2-methylsulfanyl-pentan-3-one Openeye Name: 1-[4-[(6-hydroxy-1-methyl-benzimidazol-2-yl)methoxy]phenyl]-2-methylsulfanyl-pentan-3-one CAS Name: 1-[4-[(6-hydroxy-1-methyl-2-benzimidazolyl)methoxy]phenyl]-2-(methylthio)-3-pentanone IUPAC Name: 1-[4-[(6-hydroxy-1-methylbenzimidazol-2-yl)methoxy]phenyl]-2-methylsulfanylpentan-3-one Traditional Name: 1-[4-[(6-hydroxy-1-methyl-benzimidazol-2-yl)methoxy]phenyl]-2-(methylthio)pentan-3-one Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(CC1=CC=C(C=C1)OCC2=NC3=C(N2C)C=C(C=C3)O)SC

Isomeric SMILES

CCC(=O)C(CC1=CC=C(C=C1)OCC2=NC3=C(N2C)C=C(C=C3)O)SC

InChI

InChI=1S/C21H24N2O3S/c1-4-19(25)20(27-3)11-14-5-8-16(9-6-14)26-13-21-22-17-10-7-15(24)12-18(17)23(21)2/h5-10,12,20,24H,4,11,13H2,1-3H3