disodium tert-butyl 2-(5-sulfanylidene-1,2-dihydro-1,2,3-triazol-4-yl)ethanoate

Systemtic Name: disodium tert-butyl 2-(5-sulfanylidene-1,2-dihydro-1,2,3-triazol-4-yl)ethanoate Openeye Name: disodium tert-butyl 2-(5-thioxo-1,2-dihydrotriazol-4-yl)acetate CAS Name: disodium 2-(5-sulfanylidene-1,2-dihydrotriazol-4-yl)acetic acid tert-butyl ester IUPAC Name: disodium tert-butyl 2-(5-sulfanylidene-1,2-dihydrotriazol-4-yl)acetate Traditional Name: disodium 2-(5-thioxo-1,2-dihydrotriazol-4-yl)acetic acid tert-butyl ester Formula: C8H13N3Na2O2S+2 MolecularWeight: 261.25226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H13N3O2S.2Na/c1-8(2,3)13-6(12)4-5-7(14)10-11-9-5;;/h4H2,1-3H3,(H2,9,10,11,14);;/q;2*+1