4-[6-(4-cyano-2-nitro-phenyl)sulfanylhexylsulfanyl]-3-nitro-benzenecarbonitrile

Systemtic Name: 4-[6-(4-cyano-2-nitro-phenyl)sulfanylhexylsulfanyl]-3-nitro-benzenecarbonitrile Openeye Name: 4-[6-(4-cyano-2-nitro-phenyl)sulfanylhexylsulfanyl]-3-nitro-benzonitrile CAS Name: 4-[6-[(4-cyano-2-nitrophenyl)thio]hexylthio]-3-nitrobenzonitrile IUPAC Name: 4-[6-(4-cyano-2-nitrophenyl)sulfanylhexylsulfanyl]-3-nitrobenzonitrile Traditional Name: 4-[6-[(4-cyano-2-nitro-phenyl)thio]hexylthio]-3-nitro-benzonitrile Formula: C20H18N4O4S2 MolecularWeight: 442.51132

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C#N)[N+](=O)[O-])SCCCCCCSC2=C(C=C(C=C2)C#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1C#N)[N+](=O)[O-])SCCCCCCSC2=C(C=C(C=C2)C#N)[N+](=O)[O-]

InChI

InChI=1S/C20H18N4O4S2/c21-13-15-5-7-19(17(11-15)23(25)26)29-9-3-1-2-4-10-30-20-8-6-16(14-22)12-18(20)24(27)28/h5-8,11-12H,1-4,9-10H2