4-[(1-methylpyrazol-4-yl)sulfonylamino]-3-methylsulfanyl-benzoic acid

Systemtic Name: 4-[(1-methylpyrazol-4-yl)sulfonylamino]-3-methylsulfanyl-benzoic acid Openeye Name: 4-[(1-methylpyrazol-4-yl)sulfonylamino]-3-methylsulfanyl-benzoic acid CAS Name: 4-[(1-methyl-4-pyrazolyl)sulfonylamino]-3-(methylthio)benzoic acid IUPAC Name: 4-[(1-methylpyrazol-4-yl)sulfonylamino]-3-methylsulfanylbenzoic acid Traditional Name: 4-[(1-methylpyrazol-4-yl)sulfonylamino]-3-(methylthio)benzoic acid Formula: C12H13N3O4S2 MolecularWeight: 327.37932

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)S(=O)(=O)NC2=C(C=C(C=C2)C(=O)O)SC

Isomeric SMILES

CN1C=C(C=N1)S(=O)(=O)NC2=C(C=C(C=C2)C(=O)O)SC

InChI

InChI=1S/C12H13N3O4S2/c1-15-7-9(6-13-15)21(18,19)14-10-4-3-8(12(16)17)5-11(10)20-2/h3-7,14H,1-2H3,(H,16,17)