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

Systemtic Name: 5-methylsulfanyl-N,1-bis[2-nitro-4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine Openeye Name: 5-methylsulfanyl-N,1-bis[2-nitro-4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine CAS Name: 5-(methylthio)-N,1-bis[2-nitro-4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine IUPAC Name: 5-methylsulfanyl-N,1-bis[2-nitro-4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine Traditional Name: [5-(methylthio)-1-[2-nitro-4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-[2-nitro-4-(trifluoromethyl)phenyl]amine Formula: C17H10F6N6O4S MolecularWeight: 508.354519

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H10F6N6O4S/c1-34-15-25-14(24-10-4-2-8(16(18,19)20)6-12(10)28(30)31)26-27(15)11-5-3-9(17(21,22)23)7-13(11)29(32)33/h2-7H,1H3,(H,24,26)