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4-methylsulfanyl-2-[[4-nitro-3-(trifluoromethyl)phenyl]amino]butan-1-ol

4-methylsulfanyl-2-[[4-nitro-3-(trifluoromethyl)phenyl]amino]butan-1-ol

Systemtic Name:4-methylsulfanyl-2-[[4-nitro-3-(trifluoromethyl)phenyl]amino]butan-1-ol
Openeye Name:4-methylsulfanyl-2-[4-nitro-3-(trifluoromethyl)anilino]butan-1-ol
CAS Name:4-(methylthio)-2-[4-nitro-3-(trifluoromethyl)anilino]-1-butanol
IUPAC Name:4-methylsulfanyl-2-[4-nitro-3-(trifluoromethyl)anilino]butan-1-ol
Traditional Name:4-(methylthio)-2-[4-nitro-3-(trifluoromethyl)anilino]butan-1-ol
Formula: C12H15F3N2O3S
MolecularWeight: 324.31931
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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(CO)NC1=CC(=C(C=C1)[N+](=O)[O-])C(F)(F)F


Isomeric SMILES

CSCCC(CO)NC1=CC(=C(C=C1)[N+](=O)[O-])C(F)(F)F


InChI

InChI=1S/C12H15F3N2O3S/c1-21-5-4-9(7-18)16-8-2-3-11(17(19)20)10(6-8)12(13,14)15/h2-3,6,9,16,18H,4-5,7H2,1H3


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