5-(3-cyano-4-nitro-phenyl)sulfanyl-2-nitro-benzenecarbonitrile

Systemtic Name: 5-(3-cyano-4-nitro-phenyl)sulfanyl-2-nitro-benzenecarbonitrile Openeye Name: 5-(3-cyano-4-nitro-phenyl)sulfanyl-2-nitro-benzonitrile CAS Name: 5-[(3-cyano-4-nitrophenyl)thio]-2-nitrobenzonitrile IUPAC Name: 5-(3-cyano-4-nitrophenyl)sulfanyl-2-nitrobenzonitrile Traditional Name: 5-[(3-cyano-4-nitro-phenyl)thio]-2-nitro-benzonitrile Formula: C14H6N4O4S MolecularWeight: 326.28684

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1SC2=CC(=C(C=C2)[N+](=O)[O-])C#N)C#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1SC2=CC(=C(C=C2)[N+](=O)[O-])C#N)C#N)[N+](=O)[O-]

InChI

InChI=1S/C14H6N4O4S/c15-7-9-5-11(1-3-13(9)17(19)20)23-12-2-4-14(18(21)22)10(6-12)8-16/h1-6H