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

Systemtic Name: 2-(4-bromophenyl)sulfanyl-6-nitro-benzenecarbonitrile Openeye Name: 2-(4-bromophenyl)sulfanyl-6-nitro-benzonitrile CAS Name: 2-[(4-bromophenyl)thio]-6-nitrobenzonitrile IUPAC Name: 2-(4-bromophenyl)sulfanyl-6-nitrobenzonitrile Traditional Name: 2-[(4-bromophenyl)thio]-6-nitro-benzonitrile Formula: C13H7BrN2O2S MolecularWeight: 335.17588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H7BrN2O2S/c14-9-4-6-10(7-5-9)19-13-3-1-2-12(16(17)18)11(13)8-15/h1-7H