N-(4-bromophenyl)-4-nitro-benzenecarbothioamide

Systemtic Name: N-(4-bromophenyl)-4-nitro-benzenecarbothioamide Openeye Name: N-(4-bromophenyl)-4-nitro-benzenecarbothioamide CAS Name: N-(4-bromophenyl)-4-nitrobenzenecarbothioamide IUPAC Name: N-(4-bromophenyl)-4-nitrobenzenecarbothioamide Traditional Name: N-(4-bromophenyl)-4-nitro-thiobenzamide Formula: C13H9BrN2O2S MolecularWeight: 337.19176

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=S)NC2=CC=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=S)NC2=CC=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C13H9BrN2O2S/c14-10-3-5-11(6-4-10)15-13(19)9-1-7-12(8-2-9)16(17)18/h1-8H,(H,15,19)