4-[3-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid

Systemtic Name: 4-[3-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid Openeye Name: 4-[3-[(4-hydroxy-4-oxo-butanoyl)amino]-5-thioxo-1H-1,2,4-triazol-4-yl]benzoic acid CAS Name: 4-[3-[(4-hydroxy-1,4-dioxobutyl)amino]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid IUPAC Name: 4-[3-[(4-hydroxy-4-oxobutanoyl)amino]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid Traditional Name: 4-[3-[(4-hydroxy-4-keto-butanoyl)amino]-5-thioxo-1H-1,2,4-triazol-4-yl]benzoic acid Formula: C13H12N4O5S MolecularWeight: 336.32318

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)N2C(=S)NN=C2NC(=O)CCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)N2C(=S)NN=C2NC(=O)CCC(=O)O

InChI

InChI=1S/C13H12N4O5S/c18-9(5-6-10(19)20)14-12-15-16-13(23)17(12)8-3-1-7(2-4-8)11(21)22/h1-4H,5-6H2,(H,16,23)(H,19,20)(H,21,22)(H,14,15,18)