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

Systemtic Name: 3,3-dimethyl-1-[1-(phenylmethyl)benzimidazol-2-yl]sulfanyl-butan-2-one Openeye Name: 1-(1-benzylbenzimidazol-2-yl)sulfanyl-3,3-dimethyl-butan-2-one CAS Name: 3,3-dimethyl-1-[[1-(phenylmethyl)-2-benzimidazolyl]thio]-2-butanone IUPAC Name: 1-(1-benzylbenzimidazol-2-yl)sulfanyl-3,3-dimethylbutan-2-one Traditional Name: 1-[(1-benzylbenzimidazol-2-yl)thio]-3,3-dimethyl-butan-2-one Formula: C20H22N2OS MolecularWeight: 338.46648

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NC2=CC=CC=C2N1CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NC2=CC=CC=C2N1CC3=CC=CC=C3

InChI

InChI=1S/C20H22N2OS/c1-20(2,3)18(23)14-24-19-21-16-11-7-8-12-17(16)22(19)13-15-9-5-4-6-10-15/h4-12H,13-14H2,1-3H3