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

Systemtic Name: 2-(4-bromophenyl)sulfanyl-5-nitro-benzenecarbonitrile Openeye Name: 2-(4-bromophenyl)sulfanyl-5-nitro-benzonitrile CAS Name: 2-[(4-bromophenyl)thio]-5-nitrobenzonitrile IUPAC Name: 2-(4-bromophenyl)sulfanyl-5-nitrobenzonitrile Traditional Name: 2-[(4-bromophenyl)thio]-5-nitro-benzonitrile Formula: C13H7BrN2O2S MolecularWeight: 335.17588

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SC2=C(C=C(C=C2)[N+](=O)[O-])C#N)Br

Isomeric SMILES

C1=CC(=CC=C1SC2=C(C=C(C=C2)[N+](=O)[O-])C#N)Br

InChI

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