methyl 1-[3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanoyl]-4-phenyl-piperidine-4-carboxylate

Systemtic Name: methyl 1-[3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanoyl]-4-phenyl-piperidine-4-carboxylate Openeye Name: methyl 4-phenyl-1-[3-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanoyl]piperidine-4-carboxylate CAS Name: 1-[3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-oxopropyl]-4-phenyl-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanoyl]-4-phenylpiperidine-4-carboxylate Traditional Name: 4-phenyl-1-[3-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanoyl]isonipecotic acid methyl ester Formula: C25H28N4O3S MolecularWeight: 464.57982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)N3CCC(CC3)(C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)N3CCC(CC3)(C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C25H28N4O3S/c1-18-8-10-19(11-9-18)22-26-27-24(33)29(22)15-12-21(30)28-16-13-25(14-17-28,23(31)32-2)20-6-4-3-5-7-20/h3-11H,12-17H2,1-2H3,(H,27,33)