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

Systemtic Name: [(1R)-1-[5-[2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]ethyl]-dimethyl-azanium Openeye Name: [(1R)-1-[5-[2-[2-cyanoethyl(methyl)amino]-2-oxo-ethyl]sulfanyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]ethyl]-dimethyl-ammonium CAS Name: [(1R)-1-[5-[[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]thio]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]ethyl]-dimethylammonium IUPAC Name: [(1R)-1-[5-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]sulfanyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]ethyl]-dimethylazanium Traditional Name: [(1R)-1-[5-[[2-[2-cyanoethyl(methyl)amino]-2-keto-ethyl]thio]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]ethyl]-dimethyl-ammonium Formula: C18H24FN6OS+ MolecularWeight: 391.486163

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NN=C(N1C2=CC=C(C=C2)F)SCC(=O)N(C)CCC#N)[NH+](C)C

Isomeric SMILES

C[C@H](C1=NN=C(N1C2=CC=C(C=C2)F)SCC(=O)N(C)CCC#N)[NH+](C)C

InChI

InChI=1S/C18H23FN6OS/c1-13(23(2)3)17-21-22-18(25(17)15-8-6-14(19)7-9-15)27-12-16(26)24(4)11-5-10-20/h6-9,13H,5,11-12H2,1-4H3/p+1/t13-/m1/s1