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

Systemtic Name: ethyl 1-[4-[[4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]butanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[4-[[4-(4-methoxyphenyl)-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]butanoyl]piperidine-4-carboxylate CAS Name: 1-[4-[[4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]-1-oxobutyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[[4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]butanoyl]piperidine-4-carboxylate Traditional Name: 1-[4-[[4-(4-methoxyphenyl)-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]butanoyl]isonipecotic acid ethyl ester Formula: C28H34N4O4S MolecularWeight: 522.65896

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CCCSC2=NN=C(N2C3=CC=C(C=C3)OC)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CCCSC2=NN=C(N2C3=CC=C(C=C3)OC)C4=CC=C(C=C4)C

InChI

InChI=1S/C28H34N4O4S/c1-4-36-27(34)22-15-17-31(18-16-22)25(33)6-5-19-37-28-30-29-26(21-9-7-20(2)8-10-21)32(28)23-11-13-24(35-3)14-12-23/h7-14,22H,4-6,15-19H2,1-3H3