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

Systemtic Name: ethyl 1-[4-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]butanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[4-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]butanoyl]piperidine-4-carboxylate CAS Name: 1-[4-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]-1-oxobutyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]butanoyl]piperidine-4-carboxylate Traditional Name: 1-[4-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]butanoyl]isonipecotic acid ethyl ester Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CCCSC2=NN=C(N2C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CCCSC2=NN=C(N2C3=CC=CC=C3)C

InChI

InChI=1S/C21H28N4O3S/c1-3-28-20(27)17-11-13-24(14-12-17)19(26)10-7-15-29-21-23-22-16(2)25(21)18-8-5-4-6-9-18/h4-6,8-9,17H,3,7,10-15H2,1-2H3