1-[(4-methylphenyl)methyl]-2,4,6-triphenyl-pyridin-1-ium thiocyanate

Systemtic Name: 1-[(4-methylphenyl)methyl]-2,4,6-triphenyl-pyridin-1-ium thiocyanate Openeye Name: 2,4,6-triphenyl-1-(p-tolylmethyl)pyridin-1-ium thiocyanate CAS Name: 1-[(4-methylphenyl)methyl]-2,4,6-triphenylpyridin-1-ium thiocyanate IUPAC Name: 1-[(4-methylphenyl)methyl]-2,4,6-triphenylpyridin-1-ium thiocyanate Traditional Name: 1-(4-methylbenzyl)-2,4,6-triphenyl-pyridin-1-ium thiocyanate Formula: C32H26N2S MolecularWeight: 470.62724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[N+]2=C(C=C(C=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5.C(#N)[S-]

Isomeric SMILES

CC1=CC=C(C=C1)C[N+]2=C(C=C(C=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5.C(#N)[S-]

InChI

InChI=1S/C31H26N.CHNS/c1-24-17-19-25(20-18-24)23-32-30(27-13-7-3-8-14-27)21-29(26-11-5-2-6-12-26)22-31(32)28-15-9-4-10-16-28;2-1-3/h2-22H,23H2,1H3;3H/q+1;/p-1