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

Systemtic Name: methyl 1-[2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethanoyl]-4-phenyl-piperidine-4-carboxylate Openeye Name: methyl 1-[2-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetyl]-4-phenyl-piperidine-4-carboxylate CAS Name: 1-[2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-oxoethyl]-4-phenyl-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetyl]-4-phenylpiperidine-4-carboxylate Traditional Name: 1-[2-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetyl]-4-phenyl-isonipecotic acid methyl ester Formula: C24H26N4O4S MolecularWeight: 466.55264

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NNC(=S)N2CC(=O)N3CCC(CC3)(C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=NNC(=S)N2CC(=O)N3CCC(CC3)(C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C24H26N4O4S/c1-31-19-10-8-17(9-11-19)21-25-26-23(33)28(21)16-20(29)27-14-12-24(13-15-27,22(30)32-2)18-6-4-3-5-7-18/h3-11H,12-16H2,1-2H3,(H,26,33)