5-methylsulfanyl-2-[2-nitro-4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine

Systemtic Name: 5-methylsulfanyl-2-[2-nitro-4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine Openeye Name: 5-methylsulfanyl-2-[2-nitro-4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine CAS Name: 5-(methylthio)-2-[2-nitro-4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine IUPAC Name: 5-methylsulfanyl-2-[2-nitro-4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine Traditional Name: [5-(methylthio)-2-[2-nitro-4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]amine Formula: C10H8F3N5O2S MolecularWeight: 319.26303

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN(C(=N1)N)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CSC1=NN(C(=N1)N)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C10H8F3N5O2S/c1-21-9-15-8(14)17(16-9)6-3-2-5(10(11,12)13)4-7(6)18(19)20/h2-4H,1H3,(H2,14,15,16)