2-[1-(3-chlorophenyl)-2-nitro-ethyl]sulfanylethanamine

Systemtic Name: 2-[1-(3-chlorophenyl)-2-nitro-ethyl]sulfanylethanamine Openeye Name: 2-[1-(3-chlorophenyl)-2-nitro-ethyl]sulfanylethanamine CAS Name: 2-[[1-(3-chlorophenyl)-2-nitroethyl]thio]ethanamine IUPAC Name: 2-[1-(3-chlorophenyl)-2-nitroethyl]sulfanylethanamine Traditional Name: 2-[[1-(3-chlorophenyl)-2-nitro-ethyl]thio]ethylamine Formula: C10H13ClN2O2S MolecularWeight: 260.74042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H13ClN2O2S/c11-9-3-1-2-8(6-9)10(7-13(14)15)16-5-4-12/h1-3,6,10H,4-5,7,12H2