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

Systemtic Name: ethyl 1-[2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carboxylate CAS Name: 1-[2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]acetyl]isonipecotic acid ethyl ester Formula: C19H24N4O3S MolecularWeight: 388.48386

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C

InChI

InChI=1S/C19H24N4O3S/c1-3-26-18(25)15-9-11-22(12-10-15)17(24)13-27-19-21-20-14(2)23(19)16-7-5-4-6-8-16/h4-8,15H,3,9-13H2,1-2H3