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

Systemtic Name: ethyl 1-[2-[[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperidine-4-carboxylate CAS Name: 1-[2-[[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]thio]-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]thio]acetyl]isonipecotic acid ethyl ester Formula: C18H21ClN4O3S MolecularWeight: 408.90234

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CSC2=NNC(=N2)C3=CC=CC=C3Cl

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CSC2=NNC(=N2)C3=CC=CC=C3Cl

InChI

InChI=1S/C18H21ClN4O3S/c1-2-26-17(25)12-7-9-23(10-8-12)15(24)11-27-18-20-16(21-22-18)13-5-3-4-6-14(13)19/h3-6,12H,2,7-11H2,1H3,(H,20,21,22)