[(1R)-1-[4-(4-fluorophenyl)-5-[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]-dimethyl-azanium

Systemtic Name: [(1R)-1-[4-(4-fluorophenyl)-5-[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]-dimethyl-azanium Openeye Name: [(1R)-1-[4-(4-fluorophenyl)-5-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]-dimethyl-ammonium CAS Name: [(1R)-1-[4-(4-fluorophenyl)-5-[[2-oxo-2-(1H-pyrrol-2-yl)ethyl]thio]-1,2,4-triazol-3-yl]ethyl]-dimethylammonium IUPAC Name: [(1R)-1-[4-(4-fluorophenyl)-5-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]-dimethylazanium Traditional Name: [(1R)-1-[4-(4-fluorophenyl)-5-[[2-keto-2-(1H-pyrrol-2-yl)ethyl]thio]-1,2,4-triazol-3-yl]ethyl]-dimethyl-ammonium Formula: C18H21FN5OS+ MolecularWeight: 374.455643

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NN=C(N1C2=CC=C(C=C2)F)SCC(=O)C3=CC=CN3)[NH+](C)C

Isomeric SMILES

C[C@H](C1=NN=C(N1C2=CC=C(C=C2)F)SCC(=O)C3=CC=CN3)[NH+](C)C

InChI

InChI=1S/C18H20FN5OS/c1-12(23(2)3)17-21-22-18(24(17)14-8-6-13(19)7-9-14)26-11-16(25)15-5-4-10-20-15/h4-10,12,20H,11H2,1-3H3/p+1/t12-/m1/s1