5-(1H-benzimidazol-2-ylsulfanylmethyl)-3-pentyl-oxolan-2-one

Systemtic Name: 5-(1H-benzimidazol-2-ylsulfanylmethyl)-3-pentyl-oxolan-2-one Openeye Name: 5-(1H-benzimidazol-2-ylsulfanylmethyl)-3-pentyl-tetrahydrofuran-2-one CAS Name: 5-[(1H-benzimidazol-2-ylthio)methyl]-3-pentyl-2-oxolanone IUPAC Name: 5-(1H-benzimidazol-2-ylsulfanylmethyl)-3-pentyloxolan-2-one Traditional Name: 3-amyl-5-[(1H-benzimidazol-2-ylthio)methyl]tetrahydrofuran-2-one Formula: C17H22N2O2S MolecularWeight: 318.43378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CC(OC1=O)CSC2=NC3=CC=CC=C3N2

Isomeric SMILES

CCCCCC1CC(OC1=O)CSC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C17H22N2O2S/c1-2-3-4-7-12-10-13(21-16(12)20)11-22-17-18-14-8-5-6-9-15(14)19-17/h5-6,8-9,12-13H,2-4,7,10-11H2,1H3,(H,18,19)