3-[(4-tert-butylsulfanyl-2-chloranyl-phenyl)methyl]-2-methyl-benzimidazole-5-carboxylic acid

Systemtic Name: 3-[(4-tert-butylsulfanyl-2-chloranyl-phenyl)methyl]-2-methyl-benzimidazole-5-carboxylic acid Openeye Name: 3-[(4-tert-butylsulfanyl-2-chloro-phenyl)methyl]-2-methyl-benzimidazole-5-carboxylic acid CAS Name: 3-[[4-(tert-butylthio)-2-chlorophenyl]methyl]-2-methyl-5-benzimidazolecarboxylic acid IUPAC Name: 3-[(4-tert-butylsulfanyl-2-chlorophenyl)methyl]-2-methylbenzimidazole-5-carboxylic acid Traditional Name: 3-[4-(tert-butylthio)-2-chloro-benzyl]-2-methyl-benzimidazole-5-carboxylic acid Formula: C20H21ClN2O2S MolecularWeight: 388.91094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1CC3=C(C=C(C=C3)SC(C)(C)C)Cl)C=C(C=C2)C(=O)O

Isomeric SMILES

CC1=NC2=C(N1CC3=C(C=C(C=C3)SC(C)(C)C)Cl)C=C(C=C2)C(=O)O

InChI

InChI=1S/C20H21ClN2O2S/c1-12-22-17-8-6-13(19(24)25)9-18(17)23(12)11-14-5-7-15(10-16(14)21)26-20(2,3)4/h5-10H,11H2,1-4H3,(H,24,25)