(5-nitro-2-phenylazanyl-pyrimidin-4-yl) thiocyanate

Systemtic Name: (5-nitro-2-phenylazanyl-pyrimidin-4-yl) thiocyanate Openeye Name: (2-anilino-5-nitro-pyrimidin-4-yl) thiocyanate CAS Name: thiocyanic acid (2-anilino-5-nitro-4-pyrimidinyl) ester IUPAC Name: (2-anilino-5-nitropyrimidin-4-yl) thiocyanate Traditional Name: thiocyanic acid (2-anilino-5-nitro-pyrimidin-4-yl) ester Formula: C11H7N5O2S MolecularWeight: 273.27058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H7N5O2S/c12-7-19-10-9(16(17)18)6-13-11(15-10)14-8-4-2-1-3-5-8/h1-6H,(H,13,14,15)