1-[4-[3-(1H-benzimidazol-2-ylsulfanyl)-2-oxidanyl-propoxy]phenyl]-3-methyl-butan-1-one

Systemtic Name: 1-[4-[3-(1H-benzimidazol-2-ylsulfanyl)-2-oxidanyl-propoxy]phenyl]-3-methyl-butan-1-one Openeye Name: 1-[4-[3-(1H-benzimidazol-2-ylsulfanyl)-2-hydroxy-propoxy]phenyl]-3-methyl-butan-1-one CAS Name: 1-[4-[3-(1H-benzimidazol-2-ylthio)-2-hydroxypropoxy]phenyl]-3-methyl-1-butanone IUPAC Name: 1-[4-[3-(1H-benzimidazol-2-ylsulfanyl)-2-hydroxypropoxy]phenyl]-3-methylbutan-1-one Traditional Name: 1-[4-[3-(1H-benzimidazol-2-ylthio)-2-hydroxy-propoxy]phenyl]-3-methyl-butan-1-one Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)C1=CC=C(C=C1)OCC(CSC2=NC3=CC=CC=C3N2)O

Isomeric SMILES

CC(C)CC(=O)C1=CC=C(C=C1)OCC(CSC2=NC3=CC=CC=C3N2)O

InChI

InChI=1S/C21H24N2O3S/c1-14(2)11-20(25)15-7-9-17(10-8-15)26-12-16(24)13-27-21-22-18-5-3-4-6-19(18)23-21/h3-10,14,16,24H,11-13H2,1-2H3,(H,22,23)