3-(6-azanyl-2-methylsulfanyl-5-nitro-pyrimidin-4-yl)oxy-5-bromanyl-benzenecarbonitrile

Systemtic Name: 3-(6-azanyl-2-methylsulfanyl-5-nitro-pyrimidin-4-yl)oxy-5-bromanyl-benzenecarbonitrile Openeye Name: 3-(6-amino-2-methylsulfanyl-5-nitro-pyrimidin-4-yl)oxy-5-bromo-benzonitrile CAS Name: 3-[[6-amino-2-(methylthio)-5-nitro-4-pyrimidinyl]oxy]-5-bromobenzonitrile IUPAC Name: 3-(6-amino-2-methylsulfanyl-5-nitropyrimidin-4-yl)oxy-5-bromobenzonitrile Traditional Name: 3-[6-amino-2-(methylthio)-5-nitro-pyrimidin-4-yl]oxy-5-bromo-benzonitrile Formula: C12H8BrN5O3S MolecularWeight: 382.19262

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=C(C(=N1)OC2=CC(=CC(=C2)C#N)Br)[N+](=O)[O-])N

Isomeric SMILES

CSC1=NC(=C(C(=N1)OC2=CC(=CC(=C2)C#N)Br)[N+](=O)[O-])N

InChI

InChI=1S/C12H8BrN5O3S/c1-22-12-16-10(15)9(18(19)20)11(17-12)21-8-3-6(5-14)2-7(13)4-8/h2-4H,1H3,(H2,15,16,17)