4-[(5-chloranyl-1-methyl-imidazol-2-yl)methylsulfanyl]benzoic acid

Systemtic Name: 4-[(5-chloranyl-1-methyl-imidazol-2-yl)methylsulfanyl]benzoic acid Openeye Name: 4-[(5-chloro-1-methyl-imidazol-2-yl)methylsulfanyl]benzoic acid CAS Name: 4-[(5-chloro-1-methyl-2-imidazolyl)methylthio]benzoic acid IUPAC Name: 4-[(5-chloro-1-methylimidazol-2-yl)methylsulfanyl]benzoic acid Traditional Name: 4-[(5-chloro-1-methyl-imidazol-2-yl)methylthio]benzoic acid Formula: C12H11ClN2O2S MolecularWeight: 282.74594

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1CSC2=CC=C(C=C2)C(=O)O)Cl

Isomeric SMILES

CN1C(=CN=C1CSC2=CC=C(C=C2)C(=O)O)Cl

InChI

InChI=1S/C12H11ClN2O2S/c1-15-10(13)6-14-11(15)7-18-9-4-2-8(3-5-9)12(16)17/h2-6H,7H2,1H3,(H,16,17)