methyl N'-phenyl-N-(2,4,6-triphenylpyridin-1-ium-1-yl)carbamimidothioate

Systemtic Name: methyl N'-phenyl-N-(2,4,6-triphenylpyridin-1-ium-1-yl)carbamimidothioate Openeye Name: 2-methyl-3-phenyl-1-(2,4,6-triphenylpyridin-1-ium-1-yl)isothiourea CAS Name: N'-phenyl-N-(2,4,6-triphenyl-1-pyridin-1-iumyl)carbamimidothioic acid methyl ester IUPAC Name: methyl N'-phenyl-N-(2,4,6-triphenylpyridin-1-ium-1-yl)carbamimidothioate Traditional Name: 2-methyl-3-phenyl-1-(2,4,6-triphenylpyridin-1-ium-1-yl)isothiourea Formula: C31H26N3S+ MolecularWeight: 472.62324

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NC1=CC=CC=C1)N[N+]2=C(C=C(C=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CSC(=NC1=CC=CC=C1)N[N+]2=C(C=C(C=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H26N3S/c1-35-31(32-28-20-12-5-13-21-28)33-34-29(25-16-8-3-9-17-25)22-27(24-14-6-2-7-15-24)23-30(34)26-18-10-4-11-19-26/h2-23H,1H3,(H,32,33)/q+1