3-methylsulfanyl-N-[(4-nitrophenyl)methyl]propan-1-amine

Systemtic Name: 3-methylsulfanyl-N-[(4-nitrophenyl)methyl]propan-1-amine Openeye Name: 3-methylsulfanyl-N-[(4-nitrophenyl)methyl]propan-1-amine CAS Name: 3-(methylthio)-N-[(4-nitrophenyl)methyl]-1-propanamine IUPAC Name: 3-methylsulfanyl-N-[(4-nitrophenyl)methyl]propan-1-amine Traditional Name: 3-(methylthio)propyl-(4-nitrobenzyl)amine Formula: C11H16N2O2S MolecularWeight: 240.32194

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Descriptors Computed from Structure

Canonical SMILES:

CSCCCNCC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CSCCCNCC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C11H16N2O2S/c1-16-8-2-7-12-9-10-3-5-11(6-4-10)13(14)15/h3-6,12H,2,7-9H2,1H3