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

Systemtic Name: 1-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]piperidine-3-carboxylic acid Openeye Name: 1-[2-[(4-isopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-3-carboxylic acid CAS Name: 1-[1-oxo-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)thio]ethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-3-carboxylic acid Traditional Name: 1-[2-[(4-isopropyl-1,2,4-triazol-3-yl)thio]acetyl]nipecotic acid Formula: C13H20N4O3S MolecularWeight: 312.3879

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NN=C1SCC(=O)N2CCCC(C2)C(=O)O

Isomeric SMILES

CC(C)N1C=NN=C1SCC(=O)N2CCCC(C2)C(=O)O

InChI

InChI=1S/C13H20N4O3S/c1-9(2)17-8-14-15-13(17)21-7-11(18)16-5-3-4-10(6-16)12(19)20/h8-10H,3-7H2,1-2H3,(H,19,20)