(phenylmethyl) 4-nitrobenzenecarboximidothioate hydrobromide

Systemtic Name: (phenylmethyl) 4-nitrobenzenecarboximidothioate hydrobromide Openeye Name: benzyl 4-nitrobenzenecarboximidothioate hydrobromide CAS Name: 4-nitrobenzenecarboximidothioic acid (phenylmethyl) ester hydrobromide IUPAC Name: benzyl 4-nitrobenzenecarboximidothioate hydrobromide Traditional Name: 4-nitrobenzenecarboximidothioic acid benzyl ester hydrobromide Formula: C14H13BrN2O2S MolecularWeight: 353.23422

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC(=N)C2=CC=C(C=C2)[N+](=O)[O-].Br

Isomeric SMILES

C1=CC=C(C=C1)CSC(=N)C2=CC=C(C=C2)[N+](=O)[O-].Br

InChI

InChI=1S/C14H12N2O2S.BrH/c15-14(19-10-11-4-2-1-3-5-11)12-6-8-13(9-7-12)16(17)18;/h1-9,15H,10H2;1H