1-[3,4-bis(oxidanyl)phenyl]-2-[(6-tert-butyl-1H-benzimidazol-2-yl)sulfanyl]ethanone

Systemtic Name: 1-[3,4-bis(oxidanyl)phenyl]-2-[(6-tert-butyl-1H-benzimidazol-2-yl)sulfanyl]ethanone Openeye Name: 2-[(6-tert-butyl-1H-benzimidazol-2-yl)sulfanyl]-1-(3,4-dihydroxyphenyl)ethanone CAS Name: 2-[(6-tert-butyl-1H-benzimidazol-2-yl)thio]-1-(3,4-dihydroxyphenyl)ethanone IUPAC Name: 2-[(6-tert-butyl-1H-benzimidazol-2-yl)sulfanyl]-1-(3,4-dihydroxyphenyl)ethanone Traditional Name: 2-[(6-tert-butyl-1H-benzimidazol-2-yl)thio]-1-(3,4-dihydroxyphenyl)ethanone Formula: C19H20N2O3S MolecularWeight: 356.4387

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)N=C(N2)SCC(=O)C3=CC(=C(C=C3)O)O

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)N=C(N2)SCC(=O)C3=CC(=C(C=C3)O)O

InChI

InChI=1S/C19H20N2O3S/c1-19(2,3)12-5-6-13-14(9-12)21-18(20-13)25-10-17(24)11-4-7-15(22)16(23)8-11/h4-9,22-23H,10H2,1-3H3,(H,20,21)