ethyl 1-[4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]butanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]butanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]butanoyl]piperidine-4-carboxylate CAS Name: 1-[4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-oxobutyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]butanoyl]piperidine-4-carboxylate Traditional Name: 1-[4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]butanoyl]isonipecotic acid ethyl ester Formula: C22H30N4O3S MolecularWeight: 430.5636

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCCCC(=O)N2CCC(CC2)C(=O)OCC)C3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCCCC(=O)N2CCC(CC2)C(=O)OCC)C3=CC=CC=C3

InChI

InChI=1S/C22H30N4O3S/c1-3-26-20(17-9-6-5-7-10-17)23-24-22(26)30-16-8-11-19(27)25-14-12-18(13-15-25)21(28)29-4-2/h5-7,9-10,18H,3-4,8,11-16H2,1-2H3