N-(3-methylsulfanylpropyl)-2-nitro-4-(trifluoromethyl)aniline

Systemtic Name: N-(3-methylsulfanylpropyl)-2-nitro-4-(trifluoromethyl)aniline Openeye Name: N-(3-methylsulfanylpropyl)-2-nitro-4-(trifluoromethyl)aniline CAS Name: N-[3-(methylthio)propyl]-2-nitro-4-(trifluoromethyl)aniline IUPAC Name: N-(3-methylsulfanylpropyl)-2-nitro-4-(trifluoromethyl)aniline Traditional Name: 3-(methylthio)propyl-[2-nitro-4-(trifluoromethyl)phenyl]amine Formula: C11H13F3N2O2S MolecularWeight: 294.29333

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Descriptors Computed from Structure

Canonical SMILES:

CSCCCNC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CSCCCNC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C11H13F3N2O2S/c1-19-6-2-5-15-9-4-3-8(11(12,13)14)7-10(9)16(17)18/h3-4,7,15H,2,5-6H2,1H3