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

Systemtic Name: 4-[2-[2-(4-cyano-2-nitro-phenyl)sulfanylethoxy]ethylsulfanyl]-3-nitro-benzenecarbonitrile Openeye Name: 4-[2-[2-(4-cyano-2-nitro-phenyl)sulfanylethoxy]ethylsulfanyl]-3-nitro-benzonitrile CAS Name: 4-[2-[2-[(4-cyano-2-nitrophenyl)thio]ethoxy]ethylthio]-3-nitrobenzonitrile IUPAC Name: 4-[2-[2-(4-cyano-2-nitrophenyl)sulfanylethoxy]ethylsulfanyl]-3-nitrobenzonitrile Traditional Name: 4-[2-[2-[(4-cyano-2-nitro-phenyl)thio]ethoxy]ethylthio]-3-nitro-benzonitrile Formula: C18H14N4O5S2 MolecularWeight: 430.45756

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C#N)[N+](=O)[O-])SCCOCCSC2=C(C=C(C=C2)C#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1C#N)[N+](=O)[O-])SCCOCCSC2=C(C=C(C=C2)C#N)[N+](=O)[O-]

InChI

InChI=1S/C18H14N4O5S2/c19-11-13-1-3-17(15(9-13)21(23)24)28-7-5-27-6-8-29-18-4-2-14(12-20)10-16(18)22(25)26/h1-4,9-10H,5-8H2