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

Systemtic Name: methyl (1E)-N-[3-(4-methylphenyl)-1-oxidanidyl-2,5-diphenyl-4H-imidazol-1-ium-2-yl]pyrrolidine-1-carboximidothioate Openeye Name: methyl (1E)-N-[1-oxido-2,5-diphenyl-3-(p-tolyl)-4H-imidazol-1-ium-2-yl]pyrrolidine-1-carboximidothioate CAS Name: (1E)-N-[3-(4-methylphenyl)-1-oxido-2,5-diphenyl-4H-imidazol-1-ium-2-yl]-1-pyrrolidinecarboximidothioic acid methyl ester IUPAC Name: methyl (1E)-N-[3-(4-methylphenyl)-1-oxido-2,5-diphenyl-4H-imidazol-1-ium-2-yl]pyrrolidine-1-carboximidothioate Traditional Name: (1E)-N-[3-oxido-2,4-diphenyl-1-(p-tolyl)-3-imidazolin-3-ium-2-yl]pyrrolidine-1-carboximidothioic acid methyl ester Formula: C28H30N4OS MolecularWeight: 470.629

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2CC(=[N+](C2(C3=CC=CC=C3)N=C(N4CCCC4)SC)[O-])C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)N2CC(=[N+](C2(C3=CC=CC=C3)/N=C(\N4CCCC4)/SC)[O-])C5=CC=CC=C5

InChI

InChI=1S/C28H30N4OS/c1-22-15-17-25(18-16-22)31-21-26(23-11-5-3-6-12-23)32(33)28(31,24-13-7-4-8-14-24)29-27(34-2)30-19-9-10-20-30/h3-8,11-18H,9-10,19-21H2,1-2H3/b29-27+