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

Systemtic Name: ethyl 1-[[4-(4-methoxyphenyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[[4-(4-methoxyphenyl)-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperidine-3-carboxylate CAS Name: 1-[[4-(4-methoxyphenyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[4-(4-methoxyphenyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidine-3-carboxylate Traditional Name: 1-[[4-(4-methoxyphenyl)-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]nipecotic acid ethyl ester Formula: C23H27N5O3S MolecularWeight: 453.55718

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)CN2C(=S)N(C(=N2)C3=CC=NC=C3)C4=CC=C(C=C4)OC

Isomeric SMILES

CCOC(=O)C1CCCN(C1)CN2C(=S)N(C(=N2)C3=CC=NC=C3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C23H27N5O3S/c1-3-31-22(29)18-5-4-14-26(15-18)16-27-23(32)28(19-6-8-20(30-2)9-7-19)21(25-27)17-10-12-24-13-11-17/h6-13,18H,3-5,14-16H2,1-2H3