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

Systemtic Name: N-[[4-(4-fluorophenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]methanesulfonamide Openeye Name: N-[[4-(4-fluorophenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]methanesulfonamide CAS Name: N-[[4-(4-fluorophenyl)-5-(phenacylthio)-1,2,4-triazol-3-yl]methyl]methanesulfonamide IUPAC Name: N-[[4-(4-fluorophenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]methanesulfonamide Traditional Name: N-[[4-(4-fluorophenyl)-5-(phenacylthio)-1,2,4-triazol-3-yl]methyl]methanesulfonamide Formula: C18H17FN4O3S2 MolecularWeight: 420.480983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17FN4O3S2/c1-28(25,26)20-11-17-21-22-18(23(17)15-9-7-14(19)8-10-15)27-12-16(24)13-5-3-2-4-6-13/h2-10,20H,11-12H2,1H3