N-methyl-N-[[4-(oxolan-2-ylmethyl)-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-1-phenyl-methanamine

Systemtic Name: N-methyl-N-[[4-(oxolan-2-ylmethyl)-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-1-phenyl-methanamine Openeye Name: N-methyl-1-phenyl-N-[[5-(2-pyridylmethylsulfanyl)-4-(tetrahydrofuran-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]methanamine CAS Name: N-methyl-N-[[4-(2-oxolanylmethyl)-5-(2-pyridinylmethylthio)-1,2,4-triazol-3-yl]methyl]-1-phenylmethanamine IUPAC Name: N-methyl-N-[[4-(oxolan-2-ylmethyl)-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-1-phenylmethanamine Traditional Name: benzyl-methyl-[[5-(2-pyridylmethylthio)-4-(tetrahydrofurfuryl)-1,2,4-triazol-3-yl]methyl]amine Formula: C22H27N5OS MolecularWeight: 409.54768

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)CC2=NN=C(N2CC3CCCO3)SCC4=CC=CC=N4

Isomeric SMILES

CN(CC1=CC=CC=C1)CC2=NN=C(N2CC3CCCO3)SCC4=CC=CC=N4

InChI

InChI=1S/C22H27N5OS/c1-26(14-18-8-3-2-4-9-18)16-21-24-25-22(27(21)15-20-11-7-13-28-20)29-17-19-10-5-6-12-23-19/h2-6,8-10,12,20H,7,11,13-17H2,1H3