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

Systemtic Name: 2-[(5,6-dinitro-1H-benzimidazol-2-yl)methylsulfanyl]-4,6-dimethyl-pyridine-3-carbonitrile Openeye Name: 2-[(5,6-dinitro-1H-benzimidazol-2-yl)methylsulfanyl]-4,6-dimethyl-pyridine-3-carbonitrile CAS Name: 2-[(5,6-dinitro-1H-benzimidazol-2-yl)methylthio]-4,6-dimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[(5,6-dinitro-1H-benzimidazol-2-yl)methylsulfanyl]-4,6-dimethylpyridine-3-carbonitrile Traditional Name: 2-[(5,6-dinitro-1H-benzimidazol-2-yl)methylthio]-4,6-dimethyl-nicotinonitrile Formula: C16H12N6O4S MolecularWeight: 384.36928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC2=NC3=CC(=C(C=C3N2)[N+](=O)[O-])[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCC2=NC3=CC(=C(C=C3N2)[N+](=O)[O-])[N+](=O)[O-])C

InChI

InChI=1S/C16H12N6O4S/c1-8-3-9(2)18-16(10(8)6-17)27-7-15-19-11-4-13(21(23)24)14(22(25)26)5-12(11)20-15/h3-5H,7H2,1-2H3,(H,19,20)