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

Systemtic Name: disodium 4-(5-sulfanylidene-1,2-dihydro-1,2,3-triazol-4-yl)butanoic acid Openeye Name: disodium 4-(5-thioxo-1,2-dihydrotriazol-4-yl)butanoic acid CAS Name: disodium 4-(5-sulfanylidene-1,2-dihydrotriazol-4-yl)butanoic acid IUPAC Name: disodium 4-(5-sulfanylidene-1,2-dihydrotriazol-4-yl)butanoic acid Traditional Name: disodium 4-(5-thioxo-1,2-dihydrotriazol-4-yl)butyric acid Formula: C6H9N3Na2O2S+2 MolecularWeight: 233.1991

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Descriptors Computed from Structure

Canonical SMILES:

C(CC1=NNNC1=S)CC(=O)O.[Na+].[Na+]

Isomeric SMILES

C(CC1=NNNC1=S)CC(=O)O.[Na+].[Na+]

InChI

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