1-[(2-bromanyl-5-chloranyl-phenyl)sulfanylmethyl]pyrimidin-1-ium-2-amine chloride

Systemtic Name: 1-[(2-bromanyl-5-chloranyl-phenyl)sulfanylmethyl]pyrimidin-1-ium-2-amine chloride Openeye Name: 1-[(2-bromo-5-chloro-phenyl)sulfanylmethyl]pyrimidin-1-ium-2-amine chloride CAS Name: 1-[[(2-bromo-5-chlorophenyl)thio]methyl]-2-pyrimidin-1-iumamine chloride IUPAC Name: 1-[(2-bromo-5-chlorophenyl)sulfanylmethyl]pyrimidin-1-ium-2-amine chloride Traditional Name: [1-[[(2-bromo-5-chloro-phenyl)thio]methyl]pyrimidin-1-ium-2-yl]amine chloride Formula: C11H10BrCl2N3S MolecularWeight: 367.0922

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C([N+](=C1)CSC2=C(C=CC(=C2)Cl)Br)N.[Cl-]

Isomeric SMILES

C1=CN=C([N+](=C1)CSC2=C(C=CC(=C2)Cl)Br)N.[Cl-]

InChI

InChI=1S/C11H9BrClN3S.ClH/c12-9-3-2-8(13)6-10(9)17-7-16-5-1-4-15-11(16)14;/h1-6,14H,7H2;1H