4-(furan-2-ylmethyl)-2-[[4-(phenylmethyl)piperidin-1-yl]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione

Systemtic Name: 4-(furan-2-ylmethyl)-2-[[4-(phenylmethyl)piperidin-1-yl]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 2-[(4-benzyl-1-piperidyl)methyl]-4-(2-furylmethyl)-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 4-(2-furanylmethyl)-2-[[4-(phenylmethyl)-1-piperidinyl]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 2-[(4-benzylpiperidin-1-yl)methyl]-4-(furan-2-ylmethyl)-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 2-[(4-benzylpiperidino)methyl]-4-(2-furfuryl)-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C25H27N5OS MolecularWeight: 445.57978

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)CN3C(=S)N(C(=N3)C4=CC=NC=C4)CC5=CC=CO5

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)CN3C(=S)N(C(=N3)C4=CC=NC=C4)CC5=CC=CO5

InChI

InChI=1S/C25H27N5OS/c32-25-29(18-23-7-4-16-31-23)24(22-8-12-26-13-9-22)27-30(25)19-28-14-10-21(11-15-28)17-20-5-2-1-3-6-20/h1-9,12-13,16,21H,10-11,14-15,17-19H2