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

Systemtic Name: ethyl 1-[[4-(3-methoxyphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[[4-(3-methoxyphenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperidine-4-carboxylate CAS Name: 1-[[4-(3-methoxyphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[4-(3-methoxyphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidine-4-carboxylate Traditional Name: 1-[[4-(3-methoxyphenyl)-5-thioxo-1,2,4-triazol-1-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(=CC=C3)OC

Isomeric SMILES

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

InChI

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