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

Systemtic Name: 4-[4-(4-cyano-2-nitro-phenyl)sulfanylbutylsulfanyl]-3-nitro-benzenecarbonitrile Openeye Name: 4-[4-(4-cyano-2-nitro-phenyl)sulfanylbutylsulfanyl]-3-nitro-benzonitrile CAS Name: 4-[4-[(4-cyano-2-nitrophenyl)thio]butylthio]-3-nitrobenzonitrile IUPAC Name: 4-[4-(4-cyano-2-nitrophenyl)sulfanylbutylsulfanyl]-3-nitrobenzonitrile Traditional Name: 4-[4-[(4-cyano-2-nitro-phenyl)thio]butylthio]-3-nitro-benzonitrile Formula: C18H14N4O4S2 MolecularWeight: 414.45816

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C#N)[N+](=O)[O-])SCCCCSC2=C(C=C(C=C2)C#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1C#N)[N+](=O)[O-])SCCCCSC2=C(C=C(C=C2)C#N)[N+](=O)[O-]

InChI

InChI=1S/C18H14N4O4S2/c19-11-13-3-5-17(15(9-13)21(23)24)27-7-1-2-8-28-18-6-4-14(12-20)10-16(18)22(25)26/h3-6,9-10H,1-2,7-8H2