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

Systemtic Name: ethyl 1-[[5-(4-methylphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[[5-(p-tolyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[5-(4-methylphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[5-(4-methylphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[5-(p-tolyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C18H25N4O2S+ MolecularWeight: 361.4817

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O2S/c1-3-24-17(23)15-8-10-21(11-9-15)12-22-18(25)19-16(20-22)14-6-4-13(2)5-7-14/h4-7,15H,3,8-12H2,1-2H3,(H,19,20,25)/p+1