5-chloranyl-1-[(2-chloranyl-4-methylsulfanyl-phenyl)methyl]-4-methyl-imidazol-1-ium-1-carbaldehyde

Systemtic Name: 5-chloranyl-1-[(2-chloranyl-4-methylsulfanyl-phenyl)methyl]-4-methyl-imidazol-1-ium-1-carbaldehyde Openeye Name: 5-chloro-1-[(2-chloro-4-methylsulfanyl-phenyl)methyl]-4-methyl-imidazol-1-ium-1-carbaldehyde CAS Name: 5-chloro-1-[[2-chloro-4-(methylthio)phenyl]methyl]-4-methyl-1-imidazol-1-iumcarboxaldehyde IUPAC Name: 5-chloro-1-[(2-chloro-4-methylsulfanylphenyl)methyl]-4-methylimidazol-1-ium-1-carbaldehyde Traditional Name: 5-chloro-1-[2-chloro-4-(methylthio)benzyl]-4-methyl-imidazol-1-ium-1-carbaldehyde Formula: C13H13Cl2N2OS+ MolecularWeight: 316.22612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([N+](C=N1)(CC2=C(C=C(C=C2)SC)Cl)C=O)Cl

Isomeric SMILES

CC1=C([N+](C=N1)(CC2=C(C=C(C=C2)SC)Cl)C=O)Cl

InChI

InChI=1S/C13H13Cl2N2OS/c1-9-13(15)17(8-18,7-16-9)6-10-3-4-11(19-2)5-12(10)14/h3-5,7-8H,6H2,1-2H3/q+1