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

Systemtic Name: ethyl 1-[(4-phenyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[[4-phenyl-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(4-phenyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-phenyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[4-phenyl-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C21H25N4O2S2+ MolecularWeight: 429.5788

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CN2C(=S)N(C(=N2)C3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CN2C(=S)N(C(=N2)C3=CC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C21H24N4O2S2/c1-2-27-20(26)16-10-12-23(13-11-16)15-24-21(28)25(17-7-4-3-5-8-17)19(22-24)18-9-6-14-29-18/h3-9,14,16H,2,10-13,15H2,1H3/p+1