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

Systemtic Name: ethyl (1E)-N-[3-(4-chlorophenyl)-1-oxidanidyl-2,5-diphenyl-4H-imidazol-1-ium-2-yl]pyrrolidine-1-carboximidothioate Openeye Name: ethyl (1E)-N-[3-(4-chlorophenyl)-1-oxido-2,5-diphenyl-4H-imidazol-1-ium-2-yl]pyrrolidine-1-carboximidothioate CAS Name: (1E)-N-[3-(4-chlorophenyl)-1-oxido-2,5-diphenyl-4H-imidazol-1-ium-2-yl]-1-pyrrolidinecarboximidothioic acid ethyl ester IUPAC Name: ethyl (1E)-N-[3-(4-chlorophenyl)-1-oxido-2,5-diphenyl-4H-imidazol-1-ium-2-yl]pyrrolidine-1-carboximidothioate Traditional Name: (1E)-N-[1-(4-chlorophenyl)-3-oxido-2,4-diphenyl-3-imidazolin-3-ium-2-yl]pyrrolidine-1-carboximidothioic acid ethyl ester Formula: C28H29ClN4OS MolecularWeight: 505.07406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H29ClN4OS/c1-2-35-27(31-19-9-10-20-31)30-28(23-13-7-4-8-14-23)32(25-17-15-24(29)16-18-25)21-26(33(28)34)22-11-5-3-6-12-22/h3-8,11-18H,2,9-10,19-21H2,1H3/b30-27+