cyano N'-(4-methylphenyl)-N-pyridin-1-ium-1-yl-carbamimidothioate

Systemtic Name: cyano N'-(4-methylphenyl)-N-pyridin-1-ium-1-yl-carbamimidothioate Openeye Name: [N'-(p-tolyl)-N-pyridin-1-ium-1-yl-carbamimidoyl] thiocyanate CAS Name: N'-(4-methylphenyl)-N-(1-pyridin-1-iumyl)carbamimidothioic acid cyano ester IUPAC Name: cyano N'-(4-methylphenyl)-N-pyridin-1-ium-1-ylcarbamimidothioate Traditional Name: thiocyanic acid [N'-(p-tolyl)-N-pyridin-1-ium-1-yl-amidino] ester Formula: C14H13N4S+ MolecularWeight: 269.34482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N4S/c1-12-5-7-13(8-6-12)16-14(19-11-15)17-18-9-3-2-4-10-18/h2-10H,1H3,(H,16,17)/q+1