sodium ethyl 4-(5-sulfanylidene-1,2-dihydro-1,2,3-triazol-4-yl)butanoate

Systemtic Name: sodium ethyl 4-(5-sulfanylidene-1,2-dihydro-1,2,3-triazol-4-yl)butanoate Openeye Name: sodium ethyl 4-(5-thioxo-1,2-dihydrotriazol-4-yl)butanoate CAS Name: sodium 4-(5-sulfanylidene-1,2-dihydrotriazol-4-yl)butanoic acid ethyl ester IUPAC Name: sodium ethyl 4-(5-sulfanylidene-1,2-dihydrotriazol-4-yl)butanoate Traditional Name: sodium 4-(5-thioxo-1,2-dihydrotriazol-4-yl)butyric acid ethyl ester Formula: C8H13N3NaO2S+ MolecularWeight: 238.26249

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCC1=NNNC1=S.[Na+]

Isomeric SMILES

CCOC(=O)CCCC1=NNNC1=S.[Na+]

InChI

InChI=1S/C8H13N3O2S.Na/c1-2-13-7(12)5-3-4-6-8(14)10-11-9-6;/h2-5H2,1H3,(H2,9,10,11,14);/q;+1