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

Systemtic Name: 7-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)heptanoic acid Openeye Name: 7-(4-methyl-5-thioxo-1H-1,2,4-triazol-3-yl)heptanoic acid CAS Name: 7-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)heptanoic acid IUPAC Name: 7-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)heptanoic acid Traditional Name: 7-(4-methyl-5-thioxo-1H-1,2,4-triazol-3-yl)enanthic acid Formula: C10H17N3O2S MolecularWeight: 243.32588

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NNC1=S)CCCCCCC(=O)O

Isomeric SMILES

CN1C(=NNC1=S)CCCCCCC(=O)O

InChI

InChI=1S/C10H17N3O2S/c1-13-8(11-12-10(13)16)6-4-2-3-5-7-9(14)15/h2-7H2,1H3,(H,12,16)(H,14,15)