3,3-dimethyl-1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]butan-2-one hydrochloride

Systemtic Name: 3,3-dimethyl-1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]butan-2-one hydrochloride Openeye Name: 3,3-dimethyl-1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]butan-2-one hydrochloride CAS Name: 3,3-dimethyl-1-[(6-methyl-1H-benzimidazol-2-yl)thio]-2-butanone hydrochloride IUPAC Name: 3,3-dimethyl-1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]butan-2-one hydrochloride Traditional Name: 3,3-dimethyl-1-[(6-methyl-1H-benzimidazol-2-yl)thio]butan-2-one hydrochloride Formula: C14H19ClN2OS MolecularWeight: 298.83146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)SCC(=O)C(C)(C)C.Cl

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)SCC(=O)C(C)(C)C.Cl

InChI

InChI=1S/C14H18N2OS.ClH/c1-9-5-6-10-11(7-9)16-13(15-10)18-8-12(17)14(2,3)4;/h5-7H,8H2,1-4H3,(H,15,16);1H