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

Systemtic Name: methyl (4E)-N-(1-oxidanidyl-2,3,5-triphenyl-4H-imidazol-1-ium-2-yl)morpholine-4-carboximidothioate Openeye Name: methyl (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 methyl ester IUPAC Name: methyl (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 methyl ester Formula: C27H28N4O2S MolecularWeight: 472.60182

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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)N5CCOCC5

Isomeric SMILES

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

InChI

InChI=1S/C27H28N4O2S/c1-34-26(29-17-19-33-20-18-29)28-27(23-13-7-3-8-14-23)30(24-15-9-4-10-16-24)21-25(31(27)32)22-11-5-2-6-12-22/h2-16H,17-21H2,1H3/b28-26+