methyl (1E)-N-(1-oxidanidyl-2,3,5-triphenyl-4H-imidazol-1-ium-2-yl)pyrrolidine-1-carboximidothioate

Systemtic Name: methyl (1E)-N-(1-oxidanidyl-2,3,5-triphenyl-4H-imidazol-1-ium-2-yl)pyrrolidine-1-carboximidothioate Openeye Name: methyl (1E)-N-(1-oxido-2,3,5-triphenyl-4H-imidazol-1-ium-2-yl)pyrrolidine-1-carboximidothioate CAS Name: (1E)-N-(1-oxido-2,3,5-triphenyl-4H-imidazol-1-ium-2-yl)-1-pyrrolidinecarboximidothioic acid methyl ester IUPAC Name: methyl (1E)-N-(1-oxido-2,3,5-triphenyl-4H-imidazol-1-ium-2-yl)pyrrolidine-1-carboximidothioate Traditional Name: (1E)-N-(3-oxido-1,2,4-triphenyl-3-imidazolin-3-ium-2-yl)pyrrolidine-1-carboximidothioic acid methyl ester Formula: C27H28N4OS MolecularWeight: 456.60242

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NC1(N(CC(=[N+]1[O-])C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)N5CCCC5

Isomeric SMILES

CS/C(=N/C1(N(CC(=[N+]1[O-])C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)/N5CCCC5

InChI

InChI=1S/C27H28N4OS/c1-33-26(29-19-11-12-20-29)28-27(23-15-7-3-8-16-23)30(24-17-9-4-10-18-24)21-25(31(27)32)22-13-5-2-6-14-22/h2-10,13-18H,11-12,19-21H2,1H3/b28-26+