ethyl 2-[(4-methylphenyl)sulfanylmethyl]benzimidazole-1-carboxylate

Systemtic Name: ethyl 2-[(4-methylphenyl)sulfanylmethyl]benzimidazole-1-carboxylate Openeye Name: ethyl 2-(p-tolylsulfanylmethyl)benzimidazole-1-carboxylate CAS Name: 2-[[(4-methylphenyl)thio]methyl]-1-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-methylphenyl)sulfanylmethyl]benzimidazole-1-carboxylate Traditional Name: 2-[(p-tolylthio)methyl]benzimidazole-1-carboxylic acid ethyl ester Formula: C18H18N2O2S MolecularWeight: 326.41272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C2=CC=CC=C2N=C1CSC3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)N1C2=CC=CC=C2N=C1CSC3=CC=C(C=C3)C

InChI

InChI=1S/C18H18N2O2S/c1-3-22-18(21)20-16-7-5-4-6-15(16)19-17(20)12-23-14-10-8-13(2)9-11-14/h4-11H,3,12H2,1-2H3