N-(2-bromanyl-4-nitro-phenyl)-5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: N-(2-bromanyl-4-nitro-phenyl)-5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxamide Openeye Name: N-(2-bromo-4-nitro-phenyl)-5-chloro-2-methylsulfanyl-pyrimidine-4-carboxamide CAS Name: N-(2-bromo-4-nitrophenyl)-5-chloro-2-(methylthio)-4-pyrimidinecarboxamide IUPAC Name: N-(2-bromo-4-nitrophenyl)-5-chloro-2-methylsulfanylpyrimidine-4-carboxamide Traditional Name: N-(2-bromo-4-nitro-phenyl)-5-chloro-2-(methylthio)pyrimidine-4-carboxamide Formula: C12H8BrClN4O3S MolecularWeight: 403.63892

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br)Cl

InChI

InChI=1S/C12H8BrClN4O3S/c1-22-12-15-5-8(14)10(17-12)11(19)16-9-3-2-6(18(20)21)4-7(9)13/h2-5H,1H3,(H,16,19)