2-[[5-[2-[3-(carboxymethylsulfanyl)-1H-1,2,4-triazol-5-yl]phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[5-[2-[3-(carboxymethylsulfanyl)-1H-1,2,4-triazol-5-yl]phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-[2-[3-(carboxymethylsulfanyl)-1H-1,2,4-triazol-5-yl]phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-[2-[3-(carboxymethylthio)-1H-1,2,4-triazol-5-yl]phenyl]-1H-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-[2-[3-(carboxymethylsulfanyl)-1H-1,2,4-triazol-5-yl]phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-[2-[3-(carboxymethylthio)-1H-1,2,4-triazol-5-yl]phenyl]-1H-1,2,4-triazol-3-yl]thio]acetic acid Formula: C14H12N6O4S2 MolecularWeight: 392.41288

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NC(=NN2)SCC(=O)O)C3=NC(=NN3)SCC(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C2=NC(=NN2)SCC(=O)O)C3=NC(=NN3)SCC(=O)O

InChI

InChI=1S/C14H12N6O4S2/c21-9(22)5-25-13-15-11(17-19-13)7-3-1-2-4-8(7)12-16-14(20-18-12)26-6-10(23)24/h1-4H,5-6H2,(H,21,22)(H,23,24)(H,15,17,19)(H,16,18,20)