3-nitro-4-pyrimidin-2-ylsulfanyl-benzenecarbonitrile

Systemtic Name: 3-nitro-4-pyrimidin-2-ylsulfanyl-benzenecarbonitrile Openeye Name: 3-nitro-4-pyrimidin-2-ylsulfanyl-benzonitrile CAS Name: 3-nitro-4-(2-pyrimidinylthio)benzonitrile IUPAC Name: 3-nitro-4-pyrimidin-2-ylsulfanylbenzonitrile Traditional Name: 3-nitro-4-(2-pyrimidylthio)benzonitrile Formula: C11H6N4O2S MolecularWeight: 258.25594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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