methyl N,N-dimethyl-N'-(1-oxidanidyl-2,3,5-triphenyl-4H-imidazol-1-ium-2-yl)carbamimidothioate

Systemtic Name: methyl N,N-dimethyl-N'-(1-oxidanidyl-2,3,5-triphenyl-4H-imidazol-1-ium-2-yl)carbamimidothioate Openeye Name: 1,1,2-trimethyl-3-(1-oxido-2,3,5-triphenyl-4H-imidazol-1-ium-2-yl)isothiourea CAS Name: N,N-dimethyl-N'-(1-oxido-2,3,5-triphenyl-4H-imidazol-1-ium-2-yl)carbamimidothioic acid methyl ester IUPAC Name: methyl N,N-dimethyl-N'-(1-oxido-2,3,5-triphenyl-4H-imidazol-1-ium-2-yl)carbamimidothioate Traditional Name: 1,1,2-trimethyl-3-(3-oxido-1,2,4-triphenyl-3-imidazolin-3-ium-2-yl)isothiourea Formula: C25H26N4OS MolecularWeight: 430.56514

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=NC1(N(CC(=[N+]1[O-])C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)SC

Isomeric SMILES

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

InChI

InChI=1S/C25H26N4OS/c1-27(2)24(31-3)26-25(21-15-9-5-10-16-21)28(22-17-11-6-12-18-22)19-23(29(25)30)20-13-7-4-8-14-20/h4-18H,19H2,1-3H3/b26-24+