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

Systemtic Name: methyl (4E)-N-[3,5-bis(4-methylphenyl)-1-oxidanidyl-2-phenyl-4H-imidazol-1-ium-2-yl]morpholine-4-carboximidothioate Openeye Name: methyl (4E)-N-[1-oxido-2-phenyl-3,5-bis(p-tolyl)-4H-imidazol-1-ium-2-yl]morpholine-4-carboximidothioate CAS Name: (4E)-N-[3,5-bis(4-methylphenyl)-1-oxido-2-phenyl-4H-imidazol-1-ium-2-yl]-4-morpholinecarboximidothioic acid methyl ester IUPAC Name: methyl (4E)-N-[3,5-bis(4-methylphenyl)-1-oxido-2-phenyl-4H-imidazol-1-ium-2-yl]morpholine-4-carboximidothioate Traditional Name: (4E)-N-[3-oxido-2-phenyl-1,4-bis(p-tolyl)-3-imidazolin-3-ium-2-yl]morpholine-4-carboximidothioic acid methyl ester Formula: C29H32N4O2S MolecularWeight: 500.65498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H32N4O2S/c1-22-9-13-24(14-10-22)27-21-32(26-15-11-23(2)12-16-26)29(33(27)34,25-7-5-4-6-8-25)30-28(36-3)31-17-19-35-20-18-31/h4-16H,17-21H2,1-3H3/b30-28+