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2-[(4-nitrophenyl)methylsulfanyl]ethanamine

2-[(4-nitrophenyl)methylsulfanyl]ethanamine

Systemtic Name:2-[(4-nitrophenyl)methylsulfanyl]ethanamine
Openeye Name:2-[(4-nitrophenyl)methylsulfanyl]ethanamine
CAS Name:2-[(4-nitrophenyl)methylthio]ethanamine
IUPAC Name:2-[(4-nitrophenyl)methylsulfanyl]ethanamine
Traditional Name:2-[(4-nitrobenzyl)thio]ethylamine
Formula: C9H12N2O2S
MolecularWeight: 212.26878
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSCCN)[N+](=O)[O-]


Isomeric SMILES

C1=CC(=CC=C1CSCCN)[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


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