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

Systemtic Name: ethyl 1-[[5-(4-methoxyphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[[5-(4-methoxyphenyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl]piperidine-4-carboxylate CAS Name: 1-[[5-(4-methoxyphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[5-(4-methoxyphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]piperidine-4-carboxylate Traditional Name: 1-[[5-(4-methoxyphenyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl]isonipecotic acid ethyl ester Formula: C18H24N4O3S MolecularWeight: 376.47316

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)CN2C(=S)N=C(N2)C3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)C1CCN(CC1)CN2C(=S)N=C(N2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C18H24N4O3S/c1-3-25-17(23)14-8-10-21(11-9-14)12-22-18(26)19-16(20-22)13-4-6-15(24-2)7-5-13/h4-7,14H,3,8-12H2,1-2H3,(H,19,20,26)