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

Systemtic Name: ethyl 1-[5-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]pentanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[5-[[5-phenyl-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]pentanoyl]piperidine-4-carboxylate CAS Name: 1-[5-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-1-oxopentyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]pentanoyl]piperidine-4-carboxylate Traditional Name: 1-[5-[[5-phenyl-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]pentanoyl]isonipecotic acid ethyl ester Formula: C28H34N4O3S MolecularWeight: 506.65956

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CCCCSC2=NN=C(N2C3=CC=C(C=C3)C)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CCCCSC2=NN=C(N2C3=CC=C(C=C3)C)C4=CC=CC=C4

InChI

InChI=1S/C28H34N4O3S/c1-3-35-27(34)23-16-18-31(19-17-23)25(33)11-7-8-20-36-28-30-29-26(22-9-5-4-6-10-22)32(28)24-14-12-21(2)13-15-24/h4-6,9-10,12-15,23H,3,7-8,11,16-20H2,1-2H3