2-[2,6-dinitro-4-(trifluoromethyl)phenyl]-5-methylsulfanyl-1,2,4-triazol-3-amine

Systemtic Name: 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]-5-methylsulfanyl-1,2,4-triazol-3-amine Openeye Name: 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]-5-methylsulfanyl-1,2,4-triazol-3-amine CAS Name: 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]-5-(methylthio)-1,2,4-triazol-3-amine IUPAC Name: 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]-5-methylsulfanyl-1,2,4-triazol-3-amine Traditional Name: [2-[2,6-dinitro-4-(trifluoromethyl)phenyl]-5-(methylthio)-1,2,4-triazol-3-yl]amine Formula: C10H7F3N6O4S MolecularWeight: 364.26059

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H7F3N6O4S/c1-24-9-15-8(14)17(16-9)7-5(18(20)21)2-4(10(11,12)13)3-6(7)19(22)23/h2-3H,1H3,(H2,14,15,16)