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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CCCCSC2=NN=C(N2C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CCCCSC2=NN=C(N2C3=CC=CC=C3)C

InChI

InChI=1S/C22H30N4O3S/c1-3-29-21(28)18-12-14-25(15-13-18)20(27)11-7-8-16-30-22-24-23-17(2)26(22)19-9-5-4-6-10-19/h4-6,9-10,18H,3,7-8,11-16H2,1-2H3