1-[2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]piperidine-4-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC(=O)N2CCC(CC2)C(=O)O)C3=CC=NC=C3

Isomeric SMILES

CCCN1C(=NN=C1SCC(=O)N2CCC(CC2)C(=O)O)C3=CC=NC=C3

InChI

InChI=1S/C18H23N5O3S/c1-2-9-23-16(13-3-7-19-8-4-13)20-21-18(23)27-12-15(24)22-10-5-14(6-11-22)17(25)26/h3-4,7-8,14H,2,5-6,9-12H2,1H3,(H,25,26)