[(1S)-1-[4-(4-fluorophenyl)-5-[2-oxidanylidene-2-(propylcarbamoylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-1-[4-(4-fluorophenyl)-5-[2-oxidanylidene-2-(propylcarbamoylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]-dimethyl-azanium Openeye Name: [(1S)-1-[4-(4-fluorophenyl)-5-[2-oxo-2-(propylcarbamoylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]-dimethyl-ammonium CAS Name: [(1S)-1-[4-(4-fluorophenyl)-5-[[2-oxo-2-[[oxo(propylamino)methyl]amino]ethyl]thio]-1,2,4-triazol-3-yl]ethyl]-dimethylammonium IUPAC Name: [(1S)-1-[4-(4-fluorophenyl)-5-[2-oxo-2-(propylcarbamoylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]-dimethylazanium Traditional Name: [(1S)-1-[4-(4-fluorophenyl)-5-[[2-keto-2-(propylcarbamoylamino)ethyl]thio]-1,2,4-triazol-3-yl]ethyl]-dimethyl-ammonium Formula: C18H26FN6O2S+ MolecularWeight: 409.501443

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NC(=O)CSC1=NN=C(N1C2=CC=C(C=C2)F)C(C)[NH+](C)C

Isomeric SMILES

CCCNC(=O)NC(=O)CSC1=NN=C(N1C2=CC=C(C=C2)F)[C@H](C)[NH+](C)C

InChI

InChI=1S/C18H25FN6O2S/c1-5-10-20-17(27)21-15(26)11-28-18-23-22-16(12(2)24(3)4)25(18)14-8-6-13(19)7-9-14/h6-9,12H,5,10-11H2,1-4H3,(H2,20,21,26,27)/p+1/t12-/m0/s1