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

Systemtic Name: 2-[[4-(furan-2-ylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-1-piperidin-1-yl-ethanone Openeye Name: 2-[[4-(2-furylmethyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-1-(1-piperidyl)ethanone CAS Name: 2-[[4-(2-furanylmethyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-2-phenyl-1-(1-piperidinyl)ethanone IUPAC Name: 2-[[4-(furan-2-ylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-1-piperidin-1-ylethanone Traditional Name: 2-[[4-(2-furfuryl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-2-phenyl-1-piperidino-ethanone Formula: C25H25N5O2S MolecularWeight: 459.5633

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C(C2=CC=CC=C2)SC3=NN=C(N3CC4=CC=CO4)C5=CN=CC=C5

Isomeric SMILES

C1CCN(CC1)C(=O)C(C2=CC=CC=C2)SC3=NN=C(N3CC4=CC=CO4)C5=CN=CC=C5

InChI

InChI=1S/C25H25N5O2S/c31-24(29-14-5-2-6-15-29)22(19-9-3-1-4-10-19)33-25-28-27-23(20-11-7-13-26-17-20)30(25)18-21-12-8-16-32-21/h1,3-4,7-13,16-17,22H,2,5-6,14-15,18H2