2-(2,4,6-triphenylpyridin-1-ium-1-yl)-1,3-benzothiazole thiocyanate

Systemtic Name: 2-(2,4,6-triphenylpyridin-1-ium-1-yl)-1,3-benzothiazole thiocyanate Openeye Name: 2-(2,4,6-triphenylpyridin-1-ium-1-yl)-1,3-benzothiazole thiocyanate CAS Name: 2-(2,4,6-triphenyl-1-pyridin-1-iumyl)-1,3-benzothiazole thiocyanate IUPAC Name: 2-(2,4,6-triphenylpyridin-1-ium-1-yl)-1,3-benzothiazole thiocyanate Traditional Name: 2-(2,4,6-triphenylpyridin-1-ium-1-yl)-1,3-benzothiazole thiocyanate Formula: C31H21N3S2 MolecularWeight: 499.64854

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=[N+](C(=C2)C3=CC=CC=C3)C4=NC5=CC=CC=C5S4)C6=CC=CC=C6.C(#N)[S-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=[N+](C(=C2)C3=CC=CC=C3)C4=NC5=CC=CC=C5S4)C6=CC=CC=C6.C(#N)[S-]

InChI

InChI=1S/C30H21N2S.CHNS/c1-4-12-22(13-5-1)25-20-27(23-14-6-2-7-15-23)32(28(21-25)24-16-8-3-9-17-24)30-31-26-18-10-11-19-29(26)33-30;2-1-3/h1-21H;3H/q+1;/p-1