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

Systemtic Name: 4-[3-(4-cyano-2-nitro-phenyl)sulfanylpropylsulfanyl]-3-nitro-benzenecarbonitrile Openeye Name: 4-[3-(4-cyano-2-nitro-phenyl)sulfanylpropylsulfanyl]-3-nitro-benzonitrile CAS Name: 4-[3-[(4-cyano-2-nitrophenyl)thio]propylthio]-3-nitrobenzonitrile IUPAC Name: 4-[3-(4-cyano-2-nitrophenyl)sulfanylpropylsulfanyl]-3-nitrobenzonitrile Traditional Name: 4-[3-[(4-cyano-2-nitro-phenyl)thio]propylthio]-3-nitro-benzonitrile Formula: C17H12N4O4S2 MolecularWeight: 400.43158

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C#N)[N+](=O)[O-])SCCCSC2=C(C=C(C=C2)C#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1C#N)[N+](=O)[O-])SCCCSC2=C(C=C(C=C2)C#N)[N+](=O)[O-]

InChI

InChI=1S/C17H12N4O4S2/c18-10-12-2-4-16(14(8-12)20(22)23)26-6-1-7-27-17-5-3-13(11-19)9-15(17)21(24)25/h2-5,8-9H,1,6-7H2