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

Systemtic Name: 4-(1H-benzimidazol-2-ylsulfanyl)-1-[3,4-bis(oxidanyl)phenyl]butan-1-one Openeye Name: 4-(1H-benzimidazol-2-ylsulfanyl)-1-(3,4-dihydroxyphenyl)butan-1-one CAS Name: 4-(1H-benzimidazol-2-ylthio)-1-(3,4-dihydroxyphenyl)-1-butanone IUPAC Name: 4-(1H-benzimidazol-2-ylsulfanyl)-1-(3,4-dihydroxyphenyl)butan-1-one Traditional Name: 4-(1H-benzimidazol-2-ylthio)-1-(3,4-dihydroxyphenyl)butan-1-one Formula: C17H16N2O3S MolecularWeight: 328.38554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)SCCCC(=O)C3=CC(=C(C=C3)O)O

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)SCCCC(=O)C3=CC(=C(C=C3)O)O

InChI

InChI=1S/C17H16N2O3S/c20-14(11-7-8-15(21)16(22)10-11)6-3-9-23-17-18-12-4-1-2-5-13(12)19-17/h1-2,4-5,7-8,10,21-22H,3,6,9H2,(H,18,19)