2-ethyl-2-(5-sulfanylidene-1,2-dihydro-1,2,3-triazol-4-yl)butanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C1=NNNC1=S)C(=O)O

Isomeric SMILES

CCC(CC)(C1=NNNC1=S)C(=O)O

InChI

InChI=1S/C8H13N3O2S/c1-3-8(4-2,7(12)13)5-6(14)10-11-9-5/h3-4H2,1-2H3,(H,12,13)(H2,9,10,11,14)