ethyl 1-[[4-(phenylmethyl)-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl]methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[[4-(phenylmethyl)-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl]methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[[4-benzyl-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperidine-4-carboxylate CAS Name: 1-[[4-(phenylmethyl)-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-benzyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]piperidine-4-carboxylate Traditional Name: 1-[[4-benzyl-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]isonipecotic acid ethyl ester Formula: C22H26N4O2S2 MolecularWeight: 442.59744

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)CN2C(=S)N(C(=N2)C3=CC=CS3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)CN2C(=S)N(C(=N2)C3=CC=CS3)CC4=CC=CC=C4

InChI

InChI=1S/C22H26N4O2S2/c1-2-28-21(27)18-10-12-24(13-11-18)16-26-22(29)25(15-17-7-4-3-5-8-17)20(23-26)19-9-6-14-30-19/h3-9,14,18H,2,10-13,15-16H2,1H3