2-[1-(4-bromophenyl)-2-nitro-ethyl]sulfanylethanamine

Systemtic Name: 2-[1-(4-bromophenyl)-2-nitro-ethyl]sulfanylethanamine Openeye Name: 2-[1-(4-bromophenyl)-2-nitro-ethyl]sulfanylethanamine CAS Name: 2-[[1-(4-bromophenyl)-2-nitroethyl]thio]ethanamine IUPAC Name: 2-[1-(4-bromophenyl)-2-nitroethyl]sulfanylethanamine Traditional Name: 2-[[1-(4-bromophenyl)-2-nitro-ethyl]thio]ethylamine Formula: C10H13BrN2O2S MolecularWeight: 305.19142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H13BrN2O2S/c11-9-3-1-8(2-4-9)10(7-13(14)15)16-6-5-12/h1-4,10H,5-7,12H2