6-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)hexanoic acid

Systemtic Name: 6-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)hexanoic acid Openeye Name: 6-(5-thioxo-1,2-dihydro-1,2,4-triazol-3-yl)hexanoic acid CAS Name: 6-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)hexanoic acid IUPAC Name: 6-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)hexanoic acid Traditional Name: 6-(5-thioxo-1,2-dihydro-1,2,4-triazol-3-yl)hexanoic acid Formula: C8H13N3O2S MolecularWeight: 215.27272

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Descriptors Computed from Structure

Canonical SMILES:

C(CCC1=NC(=S)NN1)CCC(=O)O

Isomeric SMILES

C(CCC1=NC(=S)NN1)CCC(=O)O

InChI

InChI=1S/C8H13N3O2S/c12-7(13)5-3-1-2-4-6-9-8(14)11-10-6/h1-5H2,(H,12,13)(H2,9,10,11,14)