5-(4-methylphenyl)sulfonyl-4-(oxiran-2-ylmethylsulfanyl)-2-phenyl-1H-imidazol-3-ium

Systemtic Name: 5-(4-methylphenyl)sulfonyl-4-(oxiran-2-ylmethylsulfanyl)-2-phenyl-1H-imidazol-3-ium Openeye Name: 4-(oxiran-2-ylmethylsulfanyl)-2-phenyl-5-(p-tolylsulfonyl)-1H-imidazol-3-ium CAS Name: 5-(4-methylphenyl)sulfonyl-4-(2-oxiranylmethylthio)-2-phenyl-1H-imidazol-3-ium IUPAC Name: 5-(4-methylphenyl)sulfonyl-4-(oxiran-2-ylmethylsulfanyl)-2-phenyl-1H-imidazol-3-ium Traditional Name: 4-(glycidylthio)-2-phenyl-5-tosyl-1H-imidazol-3-ium Formula: C19H19N2O3S2+ MolecularWeight: 387.49576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C([NH+]=C(N2)C3=CC=CC=C3)SCC4CO4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C([NH+]=C(N2)C3=CC=CC=C3)SCC4CO4

InChI

InChI=1S/C19H18N2O3S2/c1-13-7-9-16(10-8-13)26(22,23)19-18(25-12-15-11-24-15)20-17(21-19)14-5-3-2-4-6-14/h2-10,15H,11-12H2,1H3,(H,20,21)/p+1