S-(4-bromophenyl) 4-nitrobenzenecarbothioate

Systemtic Name: S-(4-bromophenyl) 4-nitrobenzenecarbothioate Openeye Name: S-(4-bromophenyl) 4-nitrobenzenecarbothioate CAS Name: 4-nitrobenzenecarbothioic acid S-(4-bromophenyl) ester IUPAC Name: S-(4-bromophenyl) 4-nitrobenzenecarbothioate Traditional Name: 4-nitrothiobenzoic acid S-(4-bromophenyl) ester Formula: C13H8BrNO3S MolecularWeight: 338.17652

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)SC2=CC=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)SC2=CC=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C13H8BrNO3S/c14-10-3-7-12(8-4-10)19-13(16)9-1-5-11(6-2-9)15(17)18/h1-8H