3-[bis(oxidanyl)methyl]-5-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoic acid

Systemtic Name: 3-[bis(oxidanyl)methyl]-5-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoic acid Openeye Name: 3-(dihydroxymethyl)-5-(5-thioxo-1H-1,2,4-triazol-4-yl)benzoic acid CAS Name: 3-(dihydroxymethyl)-5-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoic acid IUPAC Name: 3-(dihydroxymethyl)-5-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoic acid Traditional Name: 3-(dihydroxymethyl)-5-(5-thioxo-1H-1,2,4-triazol-4-yl)benzoic acid Formula: C10H9N3O4S MolecularWeight: 267.26116

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1N2C=NNC2=S)C(=O)O)C(O)O

Isomeric SMILES

C1=C(C=C(C=C1N2C=NNC2=S)C(=O)O)C(O)O

InChI

InChI=1S/C10H9N3O4S/c14-8(15)5-1-6(9(16)17)3-7(2-5)13-4-11-12-10(13)18/h1-4,8,14-15H,(H,12,18)(H,16,17)