2,4,6-triphenyl-1-(pyridin-4-ylmethyl)pyridin-1-ium thiocyanate

Systemtic Name: 2,4,6-triphenyl-1-(pyridin-4-ylmethyl)pyridin-1-ium thiocyanate Openeye Name: 2,4,6-triphenyl-1-(4-pyridylmethyl)pyridin-1-ium thiocyanate CAS Name: 2,4,6-triphenyl-1-(pyridin-4-ylmethyl)pyridin-1-ium thiocyanate IUPAC Name: 2,4,6-triphenyl-1-(pyridin-4-ylmethyl)pyridin-1-ium thiocyanate Traditional Name: 2,4,6-triphenyl-1-(4-pyridylmethyl)pyridin-1-ium thiocyanate Formula: C30H23N3S MolecularWeight: 457.58872

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=[N+](C(=C2)C3=CC=CC=C3)CC4=CC=NC=C4)C5=CC=CC=C5.C(#N)[S-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=[N+](C(=C2)C3=CC=CC=C3)CC4=CC=NC=C4)C5=CC=CC=C5.C(#N)[S-]

InChI

InChI=1S/C29H23N2.CHNS/c1-4-10-24(11-5-1)27-20-28(25-12-6-2-7-13-25)31(22-23-16-18-30-19-17-23)29(21-27)26-14-8-3-9-15-26;2-1-3/h1-21H,22H2;3H/q+1;/p-1