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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H16N2O2S/c1-16-7-3-6-12-9-10-4-2-5-11(8-10)13(14)15/h2,4-5,8,12H,3,6-7,9H2,1H3