1-[2-[[5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]piperidine-4-carboxylate

Systemtic Name: 1-[2-[[5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]piperidine-4-carboxylate Openeye Name: 1-[2-[[5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperidine-4-carboxylate CAS Name: 1-[2-[[5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]-4-piperidinecarboxylate IUPAC Name: 1-[2-[[5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[[5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]acetyl]isonipecotate Formula: C25H27N4O4S- MolecularWeight: 479.57128

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(N2CCC3=CC=CC=C3)SCC(=O)N4CCC(CC4)C(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(N2CCC3=CC=CC=C3)SCC(=O)N4CCC(CC4)C(=O)[O-]

InChI

InChI=1S/C25H28N4O4S/c1-33-21-9-7-19(8-10-21)23-26-27-25(29(23)16-11-18-5-3-2-4-6-18)34-17-22(30)28-14-12-20(13-15-28)24(31)32/h2-10,20H,11-17H2,1H3,(H,31,32)/p-1