1-[3,4-bis(oxidanyl)phenyl]-2-(5-chloranyl-1-propyl-benzimidazol-2-yl)sulfanyl-ethanone

Systemtic Name: 1-[3,4-bis(oxidanyl)phenyl]-2-(5-chloranyl-1-propyl-benzimidazol-2-yl)sulfanyl-ethanone Openeye Name: 2-(5-chloro-1-propyl-benzimidazol-2-yl)sulfanyl-1-(3,4-dihydroxyphenyl)ethanone CAS Name: 2-[(5-chloro-1-propyl-2-benzimidazolyl)thio]-1-(3,4-dihydroxyphenyl)ethanone IUPAC Name: 2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanyl-1-(3,4-dihydroxyphenyl)ethanone Traditional Name: 2-[(5-chloro-1-propyl-benzimidazol-2-yl)thio]-1-(3,4-dihydroxyphenyl)ethanone Formula: C18H17ClN2O3S MolecularWeight: 376.85718

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)Cl)N=C1SCC(=O)C3=CC(=C(C=C3)O)O

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)Cl)N=C1SCC(=O)C3=CC(=C(C=C3)O)O

InChI

InChI=1S/C18H17ClN2O3S/c1-2-7-21-14-5-4-12(19)9-13(14)20-18(21)25-10-17(24)11-3-6-15(22)16(23)8-11/h3-6,8-9,22-23H,2,7,10H2,1H3