2-nitro-6-(4-nitrophenyl)sulfanyl-benzenecarbonitrile

Systemtic Name: 2-nitro-6-(4-nitrophenyl)sulfanyl-benzenecarbonitrile Openeye Name: 2-nitro-6-(4-nitrophenyl)sulfanyl-benzonitrile CAS Name: 2-nitro-6-[(4-nitrophenyl)thio]benzonitrile IUPAC Name: 2-nitro-6-(4-nitrophenyl)sulfanylbenzonitrile Traditional Name: 2-nitro-6-[(4-nitrophenyl)thio]benzonitrile Formula: C13H7N3O4S MolecularWeight: 301.27738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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