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

Systemtic Name: 4-(5-sulfanylidene-1,2-dihydro-1,2,3-triazol-4-yl)butanoic acid Openeye Name: 4-(5-thioxo-1,2-dihydrotriazol-4-yl)butanoic acid CAS Name: 4-(5-sulfanylidene-1,2-dihydrotriazol-4-yl)butanoic acid IUPAC Name: 4-(5-sulfanylidene-1,2-dihydrotriazol-4-yl)butanoic acid Traditional Name: 4-(5-thioxo-1,2-dihydrotriazol-4-yl)butyric acid Formula: C6H9N3O2S MolecularWeight: 187.21956

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Descriptors Computed from Structure

Canonical SMILES:

C(CC1=NNNC1=S)CC(=O)O

Isomeric SMILES

C(CC1=NNNC1=S)CC(=O)O

InChI

InChI=1S/C6H9N3O2S/c10-5(11)3-1-2-4-6(12)8-9-7-4/h1-3H2,(H,10,11)(H2,7,8,9,12)