[(1S)-1-[5-[3-(4-chloranylphenoxy)propylsulfanyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-1-[5-[3-(4-chloranylphenoxy)propylsulfanyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]ethyl]-dimethyl-azanium Openeye Name: [(1S)-1-[5-[3-(4-chlorophenoxy)propylsulfanyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]ethyl]-dimethyl-ammonium CAS Name: [(1S)-1-[5-[3-(4-chlorophenoxy)propylthio]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]ethyl]-dimethylammonium IUPAC Name: [(1S)-1-[5-[3-(4-chlorophenoxy)propylsulfanyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]ethyl]-dimethylazanium Traditional Name: [(1S)-1-[5-[3-(4-chlorophenoxy)propylthio]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]ethyl]-dimethyl-ammonium Formula: C21H25ClFN4OS+ MolecularWeight: 435.965803

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NN=C(N1C2=CC=C(C=C2)F)SCCCOC3=CC=C(C=C3)Cl)[NH+](C)C

Isomeric SMILES

C[C@@H](C1=NN=C(N1C2=CC=C(C=C2)F)SCCCOC3=CC=C(C=C3)Cl)[NH+](C)C

InChI

InChI=1S/C21H24ClFN4OS/c1-15(26(2)3)20-24-25-21(27(20)18-9-7-17(23)8-10-18)29-14-4-13-28-19-11-5-16(22)6-12-19/h5-12,15H,4,13-14H2,1-3H3/p+1/t15-/m0/s1