5-chloranyl-2-[(5,6-dinitro-1H-benzimidazol-2-yl)methylsulfanyl]-4,6-dimethyl-pyridine-3-carbonitrile

Systemtic Name: 5-chloranyl-2-[(5,6-dinitro-1H-benzimidazol-2-yl)methylsulfanyl]-4,6-dimethyl-pyridine-3-carbonitrile Openeye Name: 5-chloro-2-[(5,6-dinitro-1H-benzimidazol-2-yl)methylsulfanyl]-4,6-dimethyl-pyridine-3-carbonitrile CAS Name: 5-chloro-2-[(5,6-dinitro-1H-benzimidazol-2-yl)methylthio]-4,6-dimethyl-3-pyridinecarbonitrile IUPAC Name: 5-chloro-2-[(5,6-dinitro-1H-benzimidazol-2-yl)methylsulfanyl]-4,6-dimethylpyridine-3-carbonitrile Traditional Name: 5-chloro-2-[(5,6-dinitro-1H-benzimidazol-2-yl)methylthio]-4,6-dimethyl-nicotinonitrile Formula: C16H11ClN6O4S MolecularWeight: 418.81434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=C1Cl)C)SCC2=NC3=CC(=C(C=C3N2)[N+](=O)[O-])[N+](=O)[O-])C#N

Isomeric SMILES

CC1=C(C(=NC(=C1Cl)C)SCC2=NC3=CC(=C(C=C3N2)[N+](=O)[O-])[N+](=O)[O-])C#N

InChI

InChI=1S/C16H11ClN6O4S/c1-7-9(5-18)16(19-8(2)15(7)17)28-6-14-20-10-3-12(22(24)25)13(23(26)27)4-11(10)21-14/h3-4H,6H2,1-2H3,(H,20,21)