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

Systemtic Name: cyano N'-(4-chlorophenyl)-N-pyridin-1-ium-1-yl-carbamimidothioate Openeye Name: [N'-(4-chlorophenyl)-N-pyridin-1-ium-1-yl-carbamimidoyl] thiocyanate CAS Name: N'-(4-chlorophenyl)-N-(1-pyridin-1-iumyl)carbamimidothioic acid cyano ester IUPAC Name: cyano N'-(4-chlorophenyl)-N-pyridin-1-ium-1-ylcarbamimidothioate Traditional Name: thiocyanic acid [N'-(4-chlorophenyl)-N-pyridin-1-ium-1-yl-amidino] ester Formula: C13H10ClN4S+ MolecularWeight: 289.7633

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)NC(=NC2=CC=C(C=C2)Cl)SC#N

Isomeric SMILES

C1=CC=[N+](C=C1)NC(=NC2=CC=C(C=C2)Cl)SC#N

InChI

InChI=1S/C13H10ClN4S/c14-11-4-6-12(7-5-11)16-13(19-10-15)17-18-8-2-1-3-9-18/h1-9H,(H,16,17)/q+1