2-(1H-benzimidazol-2-ylsulfanyl)-1-[3,4-bis(oxidanyl)phenyl]pentan-1-one

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1-[3,4-bis(oxidanyl)phenyl]pentan-1-one Openeye Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1-(3,4-dihydroxyphenyl)pentan-1-one CAS Name: 2-(1H-benzimidazol-2-ylthio)-1-(3,4-dihydroxyphenyl)-1-pentanone IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1-(3,4-dihydroxyphenyl)pentan-1-one Traditional Name: 2-(1H-benzimidazol-2-ylthio)-1-(3,4-dihydroxyphenyl)pentan-1-one Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)C1=CC(=C(C=C1)O)O)SC2=NC3=CC=CC=C3N2

Isomeric SMILES

CCCC(C(=O)C1=CC(=C(C=C1)O)O)SC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C18H18N2O3S/c1-2-5-16(17(23)11-8-9-14(21)15(22)10-11)24-18-19-12-6-3-4-7-13(12)20-18/h3-4,6-10,16,21-22H,2,5H2,1H3,(H,19,20)