(2,3,5,6-tetracyanophenoxy) N'-(4-methylphenyl)-N-pyridin-1-ium-1-yl-carbamimidothioate

Systemtic Name: (2,3,5,6-tetracyanophenoxy) N'-(4-methylphenyl)-N-pyridin-1-ium-1-yl-carbamimidothioate Openeye Name: 3-(p-tolyl)-1-pyridin-1-ium-1-yl-2-(2,3,5,6-tetracyanophenoxy)isothiourea CAS Name: (4-methylphenyl)imino-(1-pyridin-1-iumylamino)methanesulfenic acid (2,3,5,6-tetracyanophenyl) ester IUPAC Name: (2,3,5,6-tetracyanophenoxy) N'-(4-methylphenyl)-N-pyridin-1-ium-1-ylcarbamimidothioate Traditional Name: 3-(p-tolyl)-1-pyridin-1-ium-1-yl-2-(2,3,5,6-tetracyanophenoxy)isothiourea Formula: C23H14N7OS+ MolecularWeight: 436.46856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N=C(N[N+]2=CC=CC=C2)SOC3=C(C(=CC(=C3C#N)C#N)C#N)C#N

Isomeric SMILES

CC1=CC=C(C=C1)N=C(N[N+]2=CC=CC=C2)SOC3=C(C(=CC(=C3C#N)C#N)C#N)C#N

InChI

InChI=1S/C23H14N7OS/c1-16-5-7-19(8-6-16)28-23(29-30-9-3-2-4-10-30)32-31-22-20(14-26)17(12-24)11-18(13-25)21(22)15-27/h2-11H,1H3,(H,28,29)/q+1