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

Systemtic Name: N,1-bis[2,6-dinitro-4-(trifluoromethyl)phenyl]-5-methylsulfanyl-1,2,4-triazol-3-amine Openeye Name: N,1-bis[2,6-dinitro-4-(trifluoromethyl)phenyl]-5-methylsulfanyl-1,2,4-triazol-3-amine CAS Name: N,1-bis[2,6-dinitro-4-(trifluoromethyl)phenyl]-5-(methylthio)-1,2,4-triazol-3-amine IUPAC Name: N,1-bis[2,6-dinitro-4-(trifluoromethyl)phenyl]-5-methylsulfanyl-1,2,4-triazol-3-amine Traditional Name: [2,6-dinitro-4-(trifluoromethyl)phenyl]-[1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-5-(methylthio)-1,2,4-triazol-3-yl]amine Formula: C17H8F6N8O8S MolecularWeight: 598.349639

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=NN1C2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])NC3=C(C=C(C=C3[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CSC1=NC(=NN1C2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])NC3=C(C=C(C=C3[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H8F6N8O8S/c1-40-15-25-14(24-12-8(28(32)33)2-6(16(18,19)20)3-9(12)29(34)35)26-27(15)13-10(30(36)37)4-7(17(21,22)23)5-11(13)31(38)39/h2-5H,1H3,(H,24,26)