[2-[(4-cyanophenyl)amino]-5-nitro-pyrimidin-4-yl] thiocyanate

Systemtic Name: [2-[(4-cyanophenyl)amino]-5-nitro-pyrimidin-4-yl] thiocyanate Openeye Name: [2-(4-cyanoanilino)-5-nitro-pyrimidin-4-yl] thiocyanate CAS Name: thiocyanic acid [2-(4-cyanoanilino)-5-nitro-4-pyrimidinyl] ester IUPAC Name: [2-(4-cyanoanilino)-5-nitropyrimidin-4-yl] thiocyanate Traditional Name: thiocyanic acid [2-(4-cyanoanilino)-5-nitro-pyrimidin-4-yl] ester Formula: C12H6N6O2S MolecularWeight: 298.28004

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)NC2=NC=C(C(=N2)SC#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C#N)NC2=NC=C(C(=N2)SC#N)[N+](=O)[O-]

InChI

InChI=1S/C12H6N6O2S/c13-5-8-1-3-9(4-2-8)16-12-15-6-10(18(19)20)11(17-12)21-7-14/h1-4,6H,(H,15,16,17)