2-chloranyl-4-[(1,4-dimethyl-5-oxidanylidene-1,2,4-triazol-3-yl)sulfanyl]benzoic acid

Systemtic Name: 2-chloranyl-4-[(1,4-dimethyl-5-oxidanylidene-1,2,4-triazol-3-yl)sulfanyl]benzoic acid Openeye Name: 2-chloro-4-[(1,4-dimethyl-5-oxo-1,2,4-triazol-3-yl)sulfanyl]benzoic acid CAS Name: 2-chloro-4-[(1,4-dimethyl-5-oxo-1,2,4-triazol-3-yl)thio]benzoic acid IUPAC Name: 2-chloro-4-[(1,4-dimethyl-5-oxo-1,2,4-triazol-3-yl)sulfanyl]benzoic acid Traditional Name: 2-chloro-4-[(5-keto-1,4-dimethyl-1,2,4-triazol-3-yl)thio]benzoic acid Formula: C11H10ClN3O3S MolecularWeight: 299.7334

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=O)C)SC2=CC(=C(C=C2)C(=O)O)Cl

Isomeric SMILES

CN1C(=NN(C1=O)C)SC2=CC(=C(C=C2)C(=O)O)Cl

InChI

InChI=1S/C11H10ClN3O3S/c1-14-10(13-15(2)11(14)18)19-6-3-4-7(9(16)17)8(12)5-6/h3-5H,1-2H3,(H,16,17)