methyl 4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoate hydrobromide

Systemtic Name: methyl 4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoate hydrobromide Openeye Name: methyl 4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoate hydrobromide CAS Name: 4-[(1H-benzimidazol-2-ylthio)methyl]benzoic acid methyl ester hydrobromide IUPAC Name: methyl 4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoate hydrobromide Traditional Name: 4-[(1H-benzimidazol-2-ylthio)methyl]benzoic acid methyl ester hydrobromide Formula: C16H15BrN2O2S MolecularWeight: 379.2715

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3N2.Br

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3N2.Br

InChI

InChI=1S/C16H14N2O2S.BrH/c1-20-15(19)12-8-6-11(7-9-12)10-21-16-17-13-4-2-3-5-14(13)18-16;/h2-9H,10H2,1H3,(H,17,18);1H