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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CSC2=NN=C(N2C)C3=CC=NC=C3

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C(=O)CSC2=NN=C(N2C)C3=CC=NC=C3

InChI

InChI=1S/C18H23N5O3S/c1-3-26-17(25)14-5-4-10-23(11-14)15(24)12-27-18-21-20-16(22(18)2)13-6-8-19-9-7-13/h6-9,14H,3-5,10-12H2,1-2H3/t14-/m0/s1