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

Systemtic Name: (2,3,5,6-tetracyanophenoxy) N'-phenyl-N-pyridin-1-ium-1-yl-carbamimidothioate Openeye Name: 3-phenyl-1-pyridin-1-ium-1-yl-2-(2,3,5,6-tetracyanophenoxy)isothiourea CAS Name: phenylimino-(1-pyridin-1-iumylamino)methanesulfenic acid (2,3,5,6-tetracyanophenyl) ester IUPAC Name: (2,3,5,6-tetracyanophenoxy) N'-phenyl-N-pyridin-1-ium-1-ylcarbamimidothioate Traditional Name: 3-phenyl-1-pyridin-1-ium-1-yl-2-(2,3,5,6-tetracyanophenoxy)isothiourea Formula: C22H12N7OS+ MolecularWeight: 422.44198

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Descriptors Computed from Structure

Canonical SMILES:

C1=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

C1=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/C22H12N7OS/c23-12-16-11-17(13-24)20(15-26)21(19(16)14-25)30-31-22(27-18-7-3-1-4-8-18)28-29-9-5-2-6-10-29/h1-11H,(H,27,28)/q+1