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

Systemtic Name: [2-[(4-bromophenyl)amino]-5-nitro-pyrimidin-4-yl] thiocyanate Openeye Name: [2-(4-bromoanilino)-5-nitro-pyrimidin-4-yl] thiocyanate CAS Name: thiocyanic acid [2-(4-bromoanilino)-5-nitro-4-pyrimidinyl] ester IUPAC Name: [2-(4-bromoanilino)-5-nitropyrimidin-4-yl] thiocyanate Traditional Name: thiocyanic acid [2-(4-bromoanilino)-5-nitro-pyrimidin-4-yl] ester Formula: C11H6BrN5O2S MolecularWeight: 352.16664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H6BrN5O2S/c12-7-1-3-8(4-2-7)15-11-14-5-9(17(18)19)10(16-11)20-6-13/h1-5H,(H,14,15,16)