4-[(5-chloranyl-1-methyl-imidazol-4-yl)sulfonylamino]-3-methylsulfanyl-benzoic acid

Systemtic Name: 4-[(5-chloranyl-1-methyl-imidazol-4-yl)sulfonylamino]-3-methylsulfanyl-benzoic acid Openeye Name: 4-[(5-chloro-1-methyl-imidazol-4-yl)sulfonylamino]-3-methylsulfanyl-benzoic acid CAS Name: 4-[(5-chloro-1-methyl-4-imidazolyl)sulfonylamino]-3-(methylthio)benzoic acid IUPAC Name: 4-[(5-chloro-1-methylimidazol-4-yl)sulfonylamino]-3-methylsulfanylbenzoic acid Traditional Name: 4-[(5-chloro-1-methyl-imidazol-4-yl)sulfonylamino]-3-(methylthio)benzoic acid Formula: C12H12ClN3O4S2 MolecularWeight: 361.82438

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=C1Cl)S(=O)(=O)NC2=C(C=C(C=C2)C(=O)O)SC

Isomeric SMILES

CN1C=NC(=C1Cl)S(=O)(=O)NC2=C(C=C(C=C2)C(=O)O)SC

InChI

InChI=1S/C12H12ClN3O4S2/c1-16-6-14-11(10(16)13)22(19,20)15-8-4-3-7(12(17)18)5-9(8)21-2/h3-6,15H,1-2H3,(H,17,18)