2-nitro-5-(4-nitrophenyl)sulfanyl-benzenecarbonitrile

Systemtic Name: 2-nitro-5-(4-nitrophenyl)sulfanyl-benzenecarbonitrile Openeye Name: 2-nitro-5-(4-nitrophenyl)sulfanyl-benzonitrile CAS Name: 2-nitro-5-[(4-nitrophenyl)thio]benzonitrile IUPAC Name: 2-nitro-5-(4-nitrophenyl)sulfanylbenzonitrile Traditional Name: 2-nitro-5-[(4-nitrophenyl)thio]benzonitrile Formula: C13H7N3O4S MolecularWeight: 301.27738

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])SC2=CC(=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])SC2=CC(=C(C=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C13H7N3O4S/c14-8-9-7-12(5-6-13(9)16(19)20)21-11-3-1-10(2-4-11)15(17)18/h1-7H