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

Systemtic Name: ethyl 1-[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperidine-4-carboxylate CAS Name: 1-[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]isonipecotic acid ethyl ester Formula: C18H23N5O3S MolecularWeight: 389.47192

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CSC2=NN=C(N2C)C3=CC=NC=C3

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CSC2=NN=C(N2C)C3=CC=NC=C3

InChI

InChI=1S/C18H23N5O3S/c1-3-26-17(25)14-6-10-23(11-7-14)15(24)12-27-18-21-20-16(22(18)2)13-4-8-19-9-5-13/h4-5,8-9,14H,3,6-7,10-12H2,1-2H3