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

Systemtic Name: 2-chloranyl-4-[(4-methyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]benzoic acid Openeye Name: 2-chloro-4-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]benzoic acid CAS Name: 2-chloro-4-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]benzoic acid IUPAC Name: 2-chloro-4-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]benzoic acid Traditional Name: 2-chloro-4-[(5-keto-4-methyl-1H-1,2,4-triazol-3-yl)thio]benzoic acid Formula: C10H8ClN3O3S MolecularWeight: 285.70682

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)NN=C1SC2=CC(=C(C=C2)C(=O)O)Cl

Isomeric SMILES

CN1C(=O)NN=C1SC2=CC(=C(C=C2)C(=O)O)Cl

InChI

InChI=1S/C10H8ClN3O3S/c1-14-9(17)12-13-10(14)18-5-2-3-6(8(15)16)7(11)4-5/h2-4H,1H3,(H,12,17)(H,15,16)