methyl (4E)-N-[5-(4-methylphenyl)-1-oxidanidyl-2,3-diphenyl-4H-imidazol-1-ium-2-yl]morpholine-4-carboximidothioate

Systemtic Name: methyl (4E)-N-[5-(4-methylphenyl)-1-oxidanidyl-2,3-diphenyl-4H-imidazol-1-ium-2-yl]morpholine-4-carboximidothioate Openeye Name: methyl (4E)-N-[1-oxido-2,3-diphenyl-5-(p-tolyl)-4H-imidazol-1-ium-2-yl]morpholine-4-carboximidothioate CAS Name: (4E)-N-[5-(4-methylphenyl)-1-oxido-2,3-diphenyl-4H-imidazol-1-ium-2-yl]-4-morpholinecarboximidothioic acid methyl ester IUPAC Name: methyl (4E)-N-[5-(4-methylphenyl)-1-oxido-2,3-diphenyl-4H-imidazol-1-ium-2-yl]morpholine-4-carboximidothioate Traditional Name: (4E)-N-[3-oxido-1,2-diphenyl-4-(p-tolyl)-3-imidazolin-3-ium-2-yl]morpholine-4-carboximidothioic acid methyl ester Formula: C28H30N4O2S MolecularWeight: 486.6284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=[N+](C(N(C2)C3=CC=CC=C3)(C4=CC=CC=C4)N=C(N5CCOCC5)SC)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=[N+](C(N(C2)C3=CC=CC=C3)(C4=CC=CC=C4)/N=C(\N5CCOCC5)/SC)[O-]

InChI

InChI=1S/C28H30N4O2S/c1-22-13-15-23(16-14-22)26-21-31(25-11-7-4-8-12-25)28(32(26)33,24-9-5-3-6-10-24)29-27(35-2)30-17-19-34-20-18-30/h3-16H,17-21H2,1-2H3/b29-27+