[azanyl-[10-(3-chloranyl-4-fluoranyl-2-hexyl-phenyl)sulfinyldecylsulfanyl]methylidene]azanium bromide

Systemtic Name: [azanyl-[10-(3-chloranyl-4-fluoranyl-2-hexyl-phenyl)sulfinyldecylsulfanyl]methylidene]azanium bromide Openeye Name: [amino-[10-(3-chloro-4-fluoro-2-hexyl-phenyl)sulfinyldecylsulfanyl]methylene]ammonium bromide CAS Name: [amino-[10-(3-chloro-4-fluoro-2-hexylphenyl)sulfinyldecylthio]methylidene]ammonium bromide IUPAC Name: [amino-[10-(3-chloro-4-fluoro-2-hexylphenyl)sulfinyldecylsulfanyl]methylidene]azanium bromide Traditional Name: [amino-[10-(3-chloro-4-fluoro-2-hexyl-phenyl)sulfinyldecylthio]methylene]ammonium bromide Formula: C23H39BrClFN2OS2 MolecularWeight: 558.053963

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=CC(=C1Cl)F)S(=O)CCCCCCCCCCSC(=[NH2+])N.[Br-]

Isomeric SMILES

CCCCCCC1=C(C=CC(=C1Cl)F)S(=O)CCCCCCCCCCSC(=[NH2+])N.[Br-]

InChI

InChI=1S/C23H38ClFN2OS2.BrH/c1-2-3-4-11-14-19-21(16-15-20(25)22(19)24)30(28)18-13-10-8-6-5-7-9-12-17-29-23(26)27;/h15-16H,2-14,17-18H2,1H3,(H3,26,27);1H