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

Systemtic Name: ethyl 4-[2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[2-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]piperidine-1-carboxylate CAS Name: 4-[[1-oxo-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]ethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[2-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C20H28N6O3S MolecularWeight: 432.53972

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC(=O)NC2CCN(CC2)C(=O)OCC)C3=CC=NC=C3

Isomeric SMILES

CCCN1C(=NN=C1SCC(=O)NC2CCN(CC2)C(=O)OCC)C3=CC=NC=C3

InChI

InChI=1S/C20H28N6O3S/c1-3-11-26-18(15-5-9-21-10-6-15)23-24-19(26)30-14-17(27)22-16-7-12-25(13-8-16)20(28)29-4-2/h5-6,9-10,16H,3-4,7-8,11-14H2,1-2H3,(H,22,27)