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

Systemtic Name: ethyl (1Z)-N-(1-oxidanidyl-2,3,5-triphenyl-4H-imidazol-1-ium-2-yl)pyrrolidine-1-carboximidothioate Openeye Name: ethyl (1Z)-N-(1-oxido-2,3,5-triphenyl-4H-imidazol-1-ium-2-yl)pyrrolidine-1-carboximidothioate CAS Name: (1Z)-N-(1-oxido-2,3,5-triphenyl-4H-imidazol-1-ium-2-yl)-1-pyrrolidinecarboximidothioic acid ethyl ester IUPAC Name: ethyl (1Z)-N-(1-oxido-2,3,5-triphenyl-4H-imidazol-1-ium-2-yl)pyrrolidine-1-carboximidothioate Traditional Name: (1Z)-N-(3-oxido-1,2,4-triphenyl-3-imidazolin-3-ium-2-yl)pyrrolidine-1-carboximidothioic acid ethyl ester Formula: C28H30N4OS MolecularWeight: 470.629

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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