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

Systemtic Name: 2-[[5-cyclopropyl-4-[3-(diethylazaniumyl)propyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-cyclopropyl-4-[3-(diethylammonio)propyl]-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-cyclopropyl-4-[3-(diethylammonio)propyl]-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-cyclopropyl-4-[3-(diethylazaniumyl)propyl]-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-cyclopropyl-4-[3-(diethylammonio)propyl]-1,2,4-triazol-3-yl]thio]acetate Formula: C14H24N4O2S MolecularWeight: 312.43096

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCN1C(=NN=C1SCC(=O)[O-])C2CC2

Isomeric SMILES

CC[NH+](CC)CCCN1C(=NN=C1SCC(=O)[O-])C2CC2

InChI

InChI=1S/C14H24N4O2S/c1-3-17(4-2)8-5-9-18-13(11-6-7-11)15-16-14(18)21-10-12(19)20/h11H,3-10H2,1-2H3,(H,19,20)