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3-[3-(2-nitropropylsulfanyl)phenyl]-3-(trifluoromethyl)pyrazole

3-[3-(2-nitropropylsulfanyl)phenyl]-3-(trifluoromethyl)pyrazole

Systemtic Name:3-[3-(2-nitropropylsulfanyl)phenyl]-3-(trifluoromethyl)pyrazole
Openeye Name:3-[3-(2-nitropropylsulfanyl)phenyl]-3-(trifluoromethyl)pyrazole
CAS Name:3-[3-(2-nitropropylthio)phenyl]-3-(trifluoromethyl)pyrazole
IUPAC Name:3-[3-(2-nitropropylsulfanyl)phenyl]-3-(trifluoromethyl)pyrazole
Traditional Name:3-[3-(2-nitropropylthio)phenyl]-3-(trifluoromethyl)pyrazole
Formula: C13H12F3N3O2S
MolecularWeight: 331.31349
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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC1=CC=CC(=C1)C2(C=CN=N2)C(F)(F)F)[N+](=O)[O-]


Isomeric SMILES

CC(CSC1=CC=CC(=C1)C2(C=CN=N2)C(F)(F)F)[N+](=O)[O-]


InChI

InChI=1S/C13H12F3N3O2S/c1-9(19(20)21)8-22-11-4-2-3-10(7-11)12(13(14,15)16)5-6-17-18-12/h2-7,9H,8H2,1H3


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