1-[2-nitro-5-[3-(trifluoromethyl)pyrazol-3-yl]phenyl]propane-1-thiol

Systemtic Name: 1-[2-nitro-5-[3-(trifluoromethyl)pyrazol-3-yl]phenyl]propane-1-thiol Openeye Name: 1-[2-nitro-5-[3-(trifluoromethyl)pyrazol-3-yl]phenyl]propane-1-thiol CAS Name: 1-[2-nitro-5-[3-(trifluoromethyl)-3-pyrazolyl]phenyl]-1-propanethiol IUPAC Name: 1-[2-nitro-5-[3-(trifluoromethyl)pyrazol-3-yl]phenyl]propane-1-thiol Traditional Name: 1-[2-nitro-5-[3-(trifluoromethyl)pyrazol-3-yl]phenyl]propane-1-thiol Formula: C13H12F3N3O2S MolecularWeight: 331.31349

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12F3N3O2S/c1-2-11(22)9-7-8(3-4-10(9)19(20)21)12(13(14,15)16)5-6-17-18-12/h3-7,11,22H,2H2,1H3