4-methyl-N-(2-methylsulfanyl-4-phenyl-pyrimidin-1-ium-1-yl)benzenesulfonamide

Systemtic Name: 4-methyl-N-(2-methylsulfanyl-4-phenyl-pyrimidin-1-ium-1-yl)benzenesulfonamide Openeye Name: 4-methyl-N-(2-methylsulfanyl-4-phenyl-pyrimidin-1-ium-1-yl)benzenesulfonamide CAS Name: 4-methyl-N-[2-(methylthio)-4-phenyl-1-pyrimidin-1-iumyl]benzenesulfonamide IUPAC Name: 4-methyl-N-(2-methylsulfanyl-4-phenylpyrimidin-1-ium-1-yl)benzenesulfonamide Traditional Name: 4-methyl-N-[2-(methylthio)-4-phenyl-pyrimidin-1-ium-1-yl]benzenesulfonamide Formula: C18H18N3O2S2+ MolecularWeight: 372.48442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N[N+]2=C(N=C(C=C2)C3=CC=CC=C3)SC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[N+]2=C(N=C(C=C2)C3=CC=CC=C3)SC

InChI

InChI=1S/C18H18N3O2S2/c1-14-8-10-16(11-9-14)25(22,23)20-21-13-12-17(19-18(21)24-2)15-6-4-3-5-7-15/h3-13,20H,1-2H3/q+1