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

Systemtic Name: 2-[[4-[3-(diethylazaniumyl)propyl]-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-[3-(diethylammonio)propyl]-5-isopropyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-[3-(diethylammonio)propyl]-5-propan-2-yl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-[3-(diethylazaniumyl)propyl]-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-[3-(diethylammonio)propyl]-5-isopropyl-1,2,4-triazol-3-yl]thio]acetate Formula: C14H26N4O2S MolecularWeight: 314.44684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H26N4O2S/c1-5-17(6-2)8-7-9-18-13(11(3)4)15-16-14(18)21-10-12(19)20/h11H,5-10H2,1-4H3,(H,19,20)