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

Systemtic Name: 4-[4-[(1-methyl-6-methylsulfanyl-benzimidazol-2-yl)methoxy]phenyl]-3-methylsulfanyl-butan-2-one Openeye Name: 4-[4-[(1-methyl-6-methylsulfanyl-benzimidazol-2-yl)methoxy]phenyl]-3-methylsulfanyl-butan-2-one CAS Name: 4-[4-[[1-methyl-6-(methylthio)-2-benzimidazolyl]methoxy]phenyl]-3-(methylthio)-2-butanone IUPAC Name: 4-[4-[(1-methyl-6-methylsulfanylbenzimidazol-2-yl)methoxy]phenyl]-3-methylsulfanylbutan-2-one Traditional Name: 4-[4-[[1-methyl-6-(methylthio)benzimidazol-2-yl]methoxy]phenyl]-3-(methylthio)butan-2-one Formula: C21H24N2O2S2 MolecularWeight: 400.55746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O2S2/c1-14(24)20(27-4)11-15-5-7-16(8-6-15)25-13-21-22-18-10-9-17(26-3)12-19(18)23(21)2/h5-10,12,20H,11,13H2,1-4H3