ethyl 1-[(3-sulfanylidene-5-thiophen-2-yl-1H-1,2,4-triazol-2-yl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(3-sulfanylidene-5-thiophen-2-yl-1H-1,2,4-triazol-2-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[[5-(2-thienyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(3-sulfanylidene-5-thiophen-2-yl-1H-1,2,4-triazol-2-yl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(3-sulfanylidene-5-thiophen-2-yl-1H-1,2,4-triazol-2-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[5-(2-thienyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C15H21N4O2S2+ MolecularWeight: 353.48284

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CN2C(=S)N=C(N2)C3=CC=CS3

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CN2C(=S)N=C(N2)C3=CC=CS3

InChI

InChI=1S/C15H20N4O2S2/c1-2-21-14(20)11-5-7-18(8-6-11)10-19-15(22)16-13(17-19)12-4-3-9-23-12/h3-4,9,11H,2,5-8,10H2,1H3,(H,16,17,22)/p+1