2,6-dinitro-4-phenylsulfanyl-benzenecarbonitrile

Systemtic Name: 2,6-dinitro-4-phenylsulfanyl-benzenecarbonitrile Openeye Name: 2,6-dinitro-4-phenylsulfanyl-benzonitrile CAS Name: 2,6-dinitro-4-(phenylthio)benzonitrile IUPAC Name: 2,6-dinitro-4-phenylsulfanylbenzonitrile Traditional Name: 2,6-dinitro-4-(phenylthio)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(15(17)18)6-10(7-13(11)16(19)20)21-9-4-2-1-3-5-9/h1-7H