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

Systemtic Name: ethyl (4E)-N-(1-oxidanidyl-2,3,5-triphenyl-4H-imidazol-1-ium-2-yl)morpholine-4-carboximidothioate Openeye Name: ethyl (4E)-N-(1-oxido-2,3,5-triphenyl-4H-imidazol-1-ium-2-yl)morpholine-4-carboximidothioate CAS Name: (4E)-N-(1-oxido-2,3,5-triphenyl-4H-imidazol-1-ium-2-yl)-4-morpholinecarboximidothioic acid ethyl ester IUPAC Name: ethyl (4E)-N-(1-oxido-2,3,5-triphenyl-4H-imidazol-1-ium-2-yl)morpholine-4-carboximidothioate Traditional Name: (4E)-N-(3-oxido-1,2,4-triphenyl-3-imidazolin-3-ium-2-yl)morpholine-4-carboximidothioic acid ethyl ester Formula: C28H30N4O2S MolecularWeight: 486.6284

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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)N5CCOCC5

Isomeric SMILES

CCS/C(=N/C1(N(CC(=[N+]1[O-])C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)/N5CCOCC5

InChI

InChI=1S/C28H30N4O2S/c1-2-35-27(30-18-20-34-21-19-30)29-28(24-14-8-4-9-15-24)31(25-16-10-5-11-17-25)22-26(32(28)33)23-12-6-3-7-13-23/h3-17H,2,18-22H2,1H3/b29-27+