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

Systemtic Name: [(1R)-1-[5-[2-[[2-chloranyl-5-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]propyl]-dimethyl-azanium Openeye Name: [(1R)-1-[4-benzyl-5-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]propyl]-dimethyl-ammonium CAS Name: [(1R)-1-[5-[[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]thio]-4-(phenylmethyl)-1,2,4-triazol-3-yl]propyl]-dimethylammonium IUPAC Name: [(1R)-1-[4-benzyl-5-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]propyl]-dimethylazanium Traditional Name: [(1R)-1-[4-benzyl-5-[[2-[2-chloro-5-(trifluoromethyl)anilino]-2-keto-ethyl]thio]-1,2,4-triazol-3-yl]propyl]-dimethyl-ammonium Formula: C23H26ClF3N5OS+ MolecularWeight: 512.99865

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25ClF3N5OS/c1-4-19(31(2)3)21-29-30-22(32(21)13-15-8-6-5-7-9-15)34-14-20(33)28-18-12-16(23(25,26)27)10-11-17(18)24/h5-12,19H,4,13-14H2,1-3H3,(H,28,33)/p+1/t19-/m1/s1