1-[(4-methylphenyl)methyl]-2,4-diphenyl-5,6-dihydrobenzo[h]quinolin-1-ium thiocyanate

Systemtic Name: 1-[(4-methylphenyl)methyl]-2,4-diphenyl-5,6-dihydrobenzo[h]quinolin-1-ium thiocyanate Openeye Name: 2,4-diphenyl-1-(p-tolylmethyl)-5,6-dihydrobenzo[h]quinolin-1-ium thiocyanate CAS Name: 1-[(4-methylphenyl)methyl]-2,4-diphenyl-5,6-dihydrobenzo[h]quinolin-1-ium thiocyanate IUPAC Name: 1-[(4-methylphenyl)methyl]-2,4-diphenyl-5,6-dihydrobenzo[h]quinolin-1-ium thiocyanate Traditional Name: 1-(4-methylbenzyl)-2,4-diphenyl-5,6-dihydrobenzo[h]quinolin-1-ium thiocyanate Formula: C34H28N2S MolecularWeight: 496.66452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[N+]2=C(C=C(C3=C2C4=CC=CC=C4CC3)C5=CC=CC=C5)C6=CC=CC=C6.C(#N)[S-]

Isomeric SMILES

CC1=CC=C(C=C1)C[N+]2=C(C=C(C3=C2C4=CC=CC=C4CC3)C5=CC=CC=C5)C6=CC=CC=C6.C(#N)[S-]

InChI

InChI=1S/C33H28N.CHNS/c1-24-16-18-25(19-17-24)23-34-32(28-13-6-3-7-14-28)22-31(26-10-4-2-5-11-26)30-21-20-27-12-8-9-15-29(27)33(30)34;2-1-3/h2-19,22H,20-21,23H2,1H3;3H/q+1;/p-1