1-[(1,3-dimethyl-4,5,6,7-tetrahydro-2H-benzimidazol-2-yl)sulfanyl]propan-2-one chloride

Systemtic Name: 1-[(1,3-dimethyl-4,5,6,7-tetrahydro-2H-benzimidazol-2-yl)sulfanyl]propan-2-one chloride Openeye Name: 1-[(1,3-dimethyl-4,5,6,7-tetrahydro-2H-benzimidazol-2-yl)sulfanyl]propan-2-one chloride CAS Name: 1-[(1,3-dimethyl-4,5,6,7-tetrahydro-2H-benzimidazol-2-yl)thio]-2-propanone chloride IUPAC Name: 1-[(1,3-dimethyl-4,5,6,7-tetrahydro-2H-benzimidazol-2-yl)sulfanyl]propan-2-one chloride Traditional Name: 1-[(1,3-dimethyl-4,5,6,7-tetrahydro-2H-benzimidazol-2-yl)thio]acetone chloride Formula: C12H20ClN2OS- MolecularWeight: 275.818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1N(C2=C(N1C)CCCC2)C.[Cl-]

Isomeric SMILES

CC(=O)CSC1N(C2=C(N1C)CCCC2)C.[Cl-]

InChI

InChI=1S/C12H20N2OS.ClH/c1-9(15)8-16-12-13(2)10-6-4-5-7-11(10)14(12)3;/h12H,4-8H2,1-3H3;1H/p-1