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

Systemtic Name: ethyl (3S)-1-[(4-methyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[[4-methyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperidine-3-carboxylate CAS Name: (3S)-1-[(4-methyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(4-methyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[[4-methyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]nipecotic acid ethyl ester Formula: C17H23N5O2S MolecularWeight: 361.46182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N5O2S/c1-3-24-16(23)14-5-4-10-21(11-14)12-22-17(25)20(2)15(19-22)13-6-8-18-9-7-13/h6-9,14H,3-5,10-12H2,1-2H3/t14-/m0/s1