4-fluoranyl-N-[[4-(phenylmethyl)-5-(2-piperidin-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]methyl]aniline

Systemtic Name: 4-fluoranyl-N-[[4-(phenylmethyl)-5-(2-piperidin-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]methyl]aniline Openeye Name: N-[[4-benzyl-5-[2-(1-piperidyl)ethylsulfanyl]-1,2,4-triazol-3-yl]methyl]-4-fluoro-aniline CAS Name: 4-fluoro-N-[[4-(phenylmethyl)-5-[2-(1-piperidinyl)ethylthio]-1,2,4-triazol-3-yl]methyl]aniline IUPAC Name: N-[[4-benzyl-5-(2-piperidin-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-4-fluoroaniline Traditional Name: [4-benzyl-5-(2-piperidinoethylthio)-1,2,4-triazol-3-yl]methyl-(4-fluorophenyl)amine Formula: C23H28FN5S MolecularWeight: 425.565323

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCSC2=NN=C(N2CC3=CC=CC=C3)CNC4=CC=C(C=C4)F

Isomeric SMILES

C1CCN(CC1)CCSC2=NN=C(N2CC3=CC=CC=C3)CNC4=CC=C(C=C4)F

InChI

InChI=1S/C23H28FN5S/c24-20-9-11-21(12-10-20)25-17-22-26-27-23(29(22)18-19-7-3-1-4-8-19)30-16-15-28-13-5-2-6-14-28/h1,3-4,7-12,25H,2,5-6,13-18H2