5-nitro-2-pyrimidin-2-ylsulfanyl-benzenecarbonitrile

Systemtic Name: 5-nitro-2-pyrimidin-2-ylsulfanyl-benzenecarbonitrile Openeye Name: 5-nitro-2-pyrimidin-2-ylsulfanyl-benzonitrile CAS Name: 5-nitro-2-(2-pyrimidinylthio)benzonitrile IUPAC Name: 5-nitro-2-pyrimidin-2-ylsulfanylbenzonitrile Traditional Name: 5-nitro-2-(2-pyrimidylthio)benzonitrile Formula: C11H6N4O2S MolecularWeight: 258.25594

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)SC2=C(C=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CN=C(N=C1)SC2=C(C=C(C=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C11H6N4O2S/c12-7-8-6-9(15(16)17)2-3-10(8)18-11-13-4-1-5-14-11/h1-6H