[(1R)-1-[5-[2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]ethyl]-dimethyl-azanium

Systemtic Name: [(1R)-1-[5-[2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]ethyl]-dimethyl-azanium Openeye Name: [(1R)-1-[4-benzyl-5-[2-(4-bromo-2-fluoro-anilino)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]-dimethyl-ammonium CAS Name: [(1R)-1-[5-[[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]thio]-4-(phenylmethyl)-1,2,4-triazol-3-yl]ethyl]-dimethylammonium IUPAC Name: [(1R)-1-[4-benzyl-5-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]-dimethylazanium Traditional Name: [(1R)-1-[4-benzyl-5-[[2-(4-bromo-2-fluoro-anilino)-2-keto-ethyl]thio]-1,2,4-triazol-3-yl]ethyl]-dimethyl-ammonium Formula: C21H24BrFN5OS+ MolecularWeight: 493.415563

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NN=C(N1CC2=CC=CC=C2)SCC(=O)NC3=C(C=C(C=C3)Br)F)[NH+](C)C

Isomeric SMILES

C[C@H](C1=NN=C(N1CC2=CC=CC=C2)SCC(=O)NC3=C(C=C(C=C3)Br)F)[NH+](C)C

InChI

InChI=1S/C21H23BrFN5OS/c1-14(27(2)3)20-25-26-21(28(20)12-15-7-5-4-6-8-15)30-13-19(29)24-18-10-9-16(22)11-17(18)23/h4-11,14H,12-13H2,1-3H3,(H,24,29)/p+1/t14-/m1/s1