N-[[4-(4-fluorophenyl)-5-phenethylsulfanyl-1,2,4-triazol-3-yl]methyl]methanesulfonamide

Systemtic Name: N-[[4-(4-fluorophenyl)-5-phenethylsulfanyl-1,2,4-triazol-3-yl]methyl]methanesulfonamide Openeye Name: N-[[4-(4-fluorophenyl)-5-phenethylsulfanyl-1,2,4-triazol-3-yl]methyl]methanesulfonamide CAS Name: N-[[4-(4-fluorophenyl)-5-(phenethylthio)-1,2,4-triazol-3-yl]methyl]methanesulfonamide IUPAC Name: N-[[4-(4-fluorophenyl)-5-phenethylsulfanyl-1,2,4-triazol-3-yl]methyl]methanesulfonamide Traditional Name: N-[[4-(4-fluorophenyl)-5-(phenethylthio)-1,2,4-triazol-3-yl]methyl]methanesulfonamide Formula: C18H19FN4O2S2 MolecularWeight: 406.497463

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NCC1=NN=C(N1C2=CC=C(C=C2)F)SCCC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)NCC1=NN=C(N1C2=CC=C(C=C2)F)SCCC3=CC=CC=C3

InChI

InChI=1S/C18H19FN4O2S2/c1-27(24,25)20-13-17-21-22-18(23(17)16-9-7-15(19)8-10-16)26-12-11-14-5-3-2-4-6-14/h2-10,20H,11-13H2,1H3