3-nitro-4-phenylsulfanyl-benzenecarbonitrile

Systemtic Name: 3-nitro-4-phenylsulfanyl-benzenecarbonitrile Openeye Name: 3-nitro-4-phenylsulfanyl-benzonitrile CAS Name: 3-nitro-4-(phenylthio)benzonitrile IUPAC Name: 3-nitro-4-phenylsulfanylbenzonitrile Traditional Name: 3-nitro-4-(phenylthio)benzonitrile Formula: C13H8N2O2S MolecularWeight: 256.27982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H8N2O2S/c14-9-10-6-7-13(12(8-10)15(16)17)18-11-4-2-1-3-5-11/h1-8H