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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1N)SC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=NN=C(N1N)SC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

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