4-(1H-benzimidazol-2-ylsulfanyl)-4-methyl-pentan-2-one

Systemtic Name: 4-(1H-benzimidazol-2-ylsulfanyl)-4-methyl-pentan-2-one Openeye Name: 4-(1H-benzimidazol-2-ylsulfanyl)-4-methyl-pentan-2-one CAS Name: 4-(1H-benzimidazol-2-ylthio)-4-methyl-2-pentanone IUPAC Name: 4-(1H-benzimidazol-2-ylsulfanyl)-4-methylpentan-2-one Traditional Name: 4-(1H-benzimidazol-2-ylthio)-4-methyl-pentan-2-one Formula: C13H16N2OS MolecularWeight: 248.34394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2OS/c1-9(16)8-13(2,3)17-12-14-10-6-4-5-7-11(10)15-12/h4-7H,8H2,1-3H3,(H,14,15)