[4-[(6-chloranyl-1-oxidanidyl-pyridin-1-ium-3-yl)carbonylamino]phenyl] thiocyanate

Systemtic Name: [4-[(6-chloranyl-1-oxidanidyl-pyridin-1-ium-3-yl)carbonylamino]phenyl] thiocyanate Openeye Name: [4-[(6-chloro-1-oxido-pyridin-1-ium-3-carbonyl)amino]phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[(6-chloro-1-oxido-3-pyridin-1-iumyl)-oxomethyl]amino]phenyl] ester IUPAC Name: [4-[(6-chloro-1-oxidopyridin-1-ium-3-carbonyl)amino]phenyl] thiocyanate Traditional Name: thiocyanic acid [4-[(6-chloro-1-oxido-pyridin-1-ium-3-carbonyl)amino]phenyl] ester Formula: C13H8ClN3O2S MolecularWeight: 305.73952

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)C2=C[N+](=C(C=C2)Cl)[O-])SC#N

Isomeric SMILES

C1=CC(=CC=C1NC(=O)C2=C[N+](=C(C=C2)Cl)[O-])SC#N

InChI

InChI=1S/C13H8ClN3O2S/c14-12-6-1-9(7-17(12)19)13(18)16-10-2-4-11(5-3-10)20-8-15/h1-7H,(H,16,18)