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

Systemtic Name: 6-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)hexanoic acid Openeye Name: 6-(4-methyl-5-thioxo-1H-1,2,4-triazol-3-yl)hexanoic acid CAS Name: 6-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)hexanoic acid IUPAC Name: 6-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)hexanoic acid Traditional Name: 6-(4-methyl-5-thioxo-1H-1,2,4-triazol-3-yl)hexanoic acid Formula: C9H15N3O2S MolecularWeight: 229.2993

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NNC1=S)CCCCCC(=O)O

Isomeric SMILES

CN1C(=NNC1=S)CCCCCC(=O)O

InChI

InChI=1S/C9H15N3O2S/c1-12-7(10-11-9(12)15)5-3-2-4-6-8(13)14/h2-6H2,1H3,(H,11,15)(H,13,14)