3-(1H-benzimidazol-2-ylsulfanyl)-5-oxidanyl-pentan-2-one

Systemtic Name: 3-(1H-benzimidazol-2-ylsulfanyl)-5-oxidanyl-pentan-2-one Openeye Name: 3-(1H-benzimidazol-2-ylsulfanyl)-5-hydroxy-pentan-2-one CAS Name: 3-(1H-benzimidazol-2-ylthio)-5-hydroxy-2-pentanone IUPAC Name: 3-(1H-benzimidazol-2-ylsulfanyl)-5-hydroxypentan-2-one Traditional Name: 3-(1H-benzimidazol-2-ylthio)-5-hydroxy-pentan-2-one Formula: C12H14N2O2S MolecularWeight: 250.31676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CCO)SC1=NC2=CC=CC=C2N1

Isomeric SMILES

CC(=O)C(CCO)SC1=NC2=CC=CC=C2N1

InChI

InChI=1S/C12H14N2O2S/c1-8(16)11(6-7-15)17-12-13-9-4-2-3-5-10(9)14-12/h2-5,11,15H,6-7H2,1H3,(H,13,14)