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

Systemtic Name: 3-(6-azanyl-2-methylsulfanyl-5-nitro-pyrimidin-4-yl)oxy-4-chloranyl-benzenecarbonitrile Openeye Name: 3-(6-amino-2-methylsulfanyl-5-nitro-pyrimidin-4-yl)oxy-4-chloro-benzonitrile CAS Name: 3-[[6-amino-2-(methylthio)-5-nitro-4-pyrimidinyl]oxy]-4-chlorobenzonitrile IUPAC Name: 3-(6-amino-2-methylsulfanyl-5-nitropyrimidin-4-yl)oxy-4-chlorobenzonitrile Traditional Name: 3-[6-amino-2-(methylthio)-5-nitro-pyrimidin-4-yl]oxy-4-chloro-benzonitrile Formula: C12H8ClN5O3S MolecularWeight: 337.74162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H8ClN5O3S/c1-22-12-16-10(15)9(18(19)20)11(17-12)21-8-4-6(5-14)2-3-7(8)13/h2-4H,1H3,(H2,15,16,17)