2-[[5-cyclopropyl-4-[2-(diethylazaniumyl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[5-cyclopropyl-4-[2-(diethylazaniumyl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-cyclopropyl-4-[2-(diethylammonio)ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-cyclopropyl-4-[2-(diethylammonio)ethyl]-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-cyclopropyl-4-[2-(diethylazaniumyl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-cyclopropyl-4-[2-(diethylammonio)ethyl]-1,2,4-triazol-3-yl]thio]acetate Formula: C13H22N4O2S MolecularWeight: 298.40438

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C(=NN=C1SCC(=O)[O-])C2CC2

Isomeric SMILES

CC[NH+](CC)CCN1C(=NN=C1SCC(=O)[O-])C2CC2

InChI

InChI=1S/C13H22N4O2S/c1-3-16(4-2)7-8-17-12(10-5-6-10)14-15-13(17)20-9-11(18)19/h10H,3-9H2,1-2H3,(H,18,19)