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

Systemtic Name: 3-[(2-chloranyl-4-methylsulfanyl-phenyl)methyl]-2-methyl-benzimidazole-5-carboxylic acid Openeye Name: 3-[(2-chloro-4-methylsulfanyl-phenyl)methyl]-2-methyl-benzimidazole-5-carboxylic acid CAS Name: 3-[[2-chloro-4-(methylthio)phenyl]methyl]-2-methyl-5-benzimidazolecarboxylic acid IUPAC Name: 3-[(2-chloro-4-methylsulfanylphenyl)methyl]-2-methylbenzimidazole-5-carboxylic acid Traditional Name: 3-[2-chloro-4-(methylthio)benzyl]-2-methyl-benzimidazole-5-carboxylic acid Formula: C17H15ClN2O2S MolecularWeight: 346.8312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15ClN2O2S/c1-10-19-15-6-4-11(17(21)22)7-16(15)20(10)9-12-3-5-13(23-2)8-14(12)18/h3-8H,9H2,1-2H3,(H,21,22)