2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-[4-(phenylmethyl)piperidin-1-yl]ethanone

Systemtic Name: 2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-[4-(phenylmethyl)piperidin-1-yl]ethanone Openeye Name: 1-(4-benzyl-1-piperidyl)-2-[[5-(2-furyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 2-[[5-(2-furanyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-[4-(phenylmethyl)-1-piperidinyl]ethanone IUPAC Name: 1-(4-benzylpiperidin-1-yl)-2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(4-benzylpiperidino)-2-[[5-(2-furyl)-4-phenyl-1,2,4-triazol-3-yl]thio]ethanone Formula: C26H26N4O2S MolecularWeight: 458.57524

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=CO5

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=CO5

InChI

InChI=1S/C26H26N4O2S/c31-24(29-15-13-21(14-16-29)18-20-8-3-1-4-9-20)19-33-26-28-27-25(23-12-7-17-32-23)30(26)22-10-5-2-6-11-22/h1-12,17,21H,13-16,18-19H2