[2-[(3-chloranyl-4-fluoranyl-phenyl)amino]-5-nitro-pyrimidin-4-yl] thiocyanate

Systemtic Name: [2-[(3-chloranyl-4-fluoranyl-phenyl)amino]-5-nitro-pyrimidin-4-yl] thiocyanate Openeye Name: [2-(3-chloro-4-fluoro-anilino)-5-nitro-pyrimidin-4-yl] thiocyanate CAS Name: thiocyanic acid [2-(3-chloro-4-fluoroanilino)-5-nitro-4-pyrimidinyl] ester IUPAC Name: [2-(3-chloro-4-fluoroanilino)-5-nitropyrimidin-4-yl] thiocyanate Traditional Name: thiocyanic acid [2-(3-chloro-4-fluoro-anilino)-5-nitro-pyrimidin-4-yl] ester Formula: C11H5ClFN5O2S MolecularWeight: 325.706103

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC2=NC=C(C(=N2)SC#N)[N+](=O)[O-])Cl)F

Isomeric SMILES

C1=CC(=C(C=C1NC2=NC=C(C(=N2)SC#N)[N+](=O)[O-])Cl)F

InChI

InChI=1S/C11H5ClFN5O2S/c12-7-3-6(1-2-8(7)13)16-11-15-4-9(18(19)20)10(17-11)21-5-14/h1-4H,(H,15,16,17)