1-[5-methoxy-1-(phenylmethyl)benzimidazol-2-yl]sulfanyl-3,3-dimethyl-butan-2-one hydrobromide

Systemtic Name: 1-[5-methoxy-1-(phenylmethyl)benzimidazol-2-yl]sulfanyl-3,3-dimethyl-butan-2-one hydrobromide Openeye Name: 1-(1-benzyl-5-methoxy-benzimidazol-2-yl)sulfanyl-3,3-dimethyl-butan-2-one hydrobromide CAS Name: 1-[[5-methoxy-1-(phenylmethyl)-2-benzimidazolyl]thio]-3,3-dimethyl-2-butanone hydrobromide IUPAC Name: 1-(1-benzyl-5-methoxybenzimidazol-2-yl)sulfanyl-3,3-dimethylbutan-2-one hydrobromide Traditional Name: 1-[(1-benzyl-5-methoxy-benzimidazol-2-yl)thio]-3,3-dimethyl-butan-2-one hydrobromide Formula: C21H25BrN2O2S MolecularWeight: 449.4044

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NC2=C(N1CC3=CC=CC=C3)C=CC(=C2)OC.Br

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NC2=C(N1CC3=CC=CC=C3)C=CC(=C2)OC.Br

InChI

InChI=1S/C21H24N2O2S.BrH/c1-21(2,3)19(24)14-26-20-22-17-12-16(25-4)10-11-18(17)23(20)13-15-8-6-5-7-9-15;/h5-12H,13-14H2,1-4H3;1H