7-(4-butyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)heptanoic acid

Systemtic Name: 7-(4-butyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)heptanoic acid Openeye Name: 7-(4-butyl-5-thioxo-1H-1,2,4-triazol-3-yl)heptanoic acid CAS Name: 7-(4-butyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)heptanoic acid IUPAC Name: 7-(4-butyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)heptanoic acid Traditional Name: 7-(4-butyl-5-thioxo-1H-1,2,4-triazol-3-yl)enanthic acid Formula: C13H23N3O2S MolecularWeight: 285.40562

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NNC1=S)CCCCCCC(=O)O

Isomeric SMILES

CCCCN1C(=NNC1=S)CCCCCCC(=O)O

InChI

InChI=1S/C13H23N3O2S/c1-2-3-10-16-11(14-15-13(16)19)8-6-4-5-7-9-12(17)18/h2-10H2,1H3,(H,15,19)(H,17,18)