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

Systemtic Name: ethyl (3S)-1-[[4-(2-methoxyethyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[[4-(2-methoxyethyl)-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperidine-3-carboxylate CAS Name: (3S)-1-[[4-(2-methoxyethyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[[4-(2-methoxyethyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[[4-(2-methoxyethyl)-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]nipecotic acid ethyl ester Formula: C19H27N5O3S MolecularWeight: 405.51438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)CN2C(=S)N(C(=N2)C3=CC=NC=C3)CCOC

InChI

InChI=1S/C19H27N5O3S/c1-3-27-18(25)16-5-4-10-22(13-16)14-24-19(28)23(11-12-26-2)17(21-24)15-6-8-20-9-7-15/h6-9,16H,3-5,10-14H2,1-2H3/t16-/m0/s1