5-azanyl-1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfanyl)pyrazole-3-carbonitrile

Systemtic Name: 5-azanyl-1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfanyl)pyrazole-3-carbonitrile Openeye Name: 5-amino-1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfanyl)pyrazole-3-carbonitrile CAS Name: 5-amino-1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylthio)-3-pyrazolecarbonitrile IUPAC Name: 5-amino-1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfanyl)pyrazole-3-carbonitrile Traditional Name: 5-amino-1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylthio)pyrazole-3-carbonitrile Formula: C12H4F6N6O4S MolecularWeight: 442.253379

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1[N+](=O)[O-])N2C(=C(C(=N2)C#N)SC(F)(F)F)N)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])N2C(=C(C(=N2)C#N)SC(F)(F)F)N)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C12H4F6N6O4S/c13-11(14,15)4-1-6(23(25)26)8(7(2-4)24(27)28)22-10(20)9(5(3-19)21-22)29-12(16,17)18/h1-2H,20H2