3-[5-sulfanylidene-4-(4-sulfophenyl)-1H-1,2,4-triazol-3-yl]propanoic acid

Systemtic Name: 3-[5-sulfanylidene-4-(4-sulfophenyl)-1H-1,2,4-triazol-3-yl]propanoic acid Openeye Name: 3-[4-(4-sulfophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]propanoic acid CAS Name: 3-[5-sulfanylidene-4-(4-sulfophenyl)-1H-1,2,4-triazol-3-yl]propanoic acid IUPAC Name: 3-[5-sulfanylidene-4-(4-sulfophenyl)-1H-1,2,4-triazol-3-yl]propanoic acid Traditional Name: 3-[4-(4-sulfophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]propionic acid Formula: C11H11N3O5S2 MolecularWeight: 329.35214

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(=NNC2=S)CCC(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1N2C(=NNC2=S)CCC(=O)O)S(=O)(=O)O

InChI

InChI=1S/C11H11N3O5S2/c15-10(16)6-5-9-12-13-11(20)14(9)7-1-3-8(4-2-7)21(17,18)19/h1-4H,5-6H2,(H,13,20)(H,15,16)(H,17,18,19)