2-[(4-nitrophenyl)methylsulfanyl]ethylazanium

Systemtic Name: 2-[(4-nitrophenyl)methylsulfanyl]ethylazanium Openeye Name: 2-[(4-nitrophenyl)methylsulfanyl]ethylammonium CAS Name: 2-[(4-nitrophenyl)methylthio]ethylammonium IUPAC Name: 2-[(4-nitrophenyl)methylsulfanyl]ethylazanium Traditional Name: 2-[(4-nitrobenzyl)thio]ethylammonium Formula: C9H13N2O2S+ MolecularWeight: 213.27672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSCC[NH3+])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CSCC[NH3+])[N+](=O)[O-]

InChI

InChI=1S/C9H12N2O2S/c10-5-6-14-7-8-1-3-9(4-2-8)11(12)13/h1-4H,5-7,10H2/p+1