2-[4-(imidazol-1-ylmethyl)phenyl]sulfanyl-2-methyl-propanoic acid chloride

Systemtic Name: 2-[4-(imidazol-1-ylmethyl)phenyl]sulfanyl-2-methyl-propanoic acid chloride Openeye Name: 2-[4-(imidazol-1-ylmethyl)phenyl]sulfanyl-2-methyl-propanoic acid chloride CAS Name: 2-[[4-(1-imidazolylmethyl)phenyl]thio]-2-methylpropanoic acid chloride IUPAC Name: 2-[4-(imidazol-1-ylmethyl)phenyl]sulfanyl-2-methylpropanoic acid chloride Traditional Name: 2-[[4-(imidazol-1-ylmethyl)phenyl]thio]-2-methyl-propionic acid chloride Formula: C14H16ClN2O2S- MolecularWeight: 311.80704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)SC1=CC=C(C=C1)CN2C=CN=C2.[Cl-]

Isomeric SMILES

CC(C)(C(=O)O)SC1=CC=C(C=C1)CN2C=CN=C2.[Cl-]

InChI

InChI=1S/C14H16N2O2S.ClH/c1-14(2,13(17)18)19-12-5-3-11(4-6-12)9-16-8-7-15-10-16;/h3-8,10H,9H2,1-2H3,(H,17,18);1H/p-1