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

Systemtic Name: 3-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine Openeye Name: 3-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine CAS Name: 3-[(2-methyl-3-nitrophenyl)methylthio]-5-(trifluoromethyl)-1,2,4-triazol-4-amine IUPAC Name: 3-[(2-methyl-3-nitrophenyl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine Traditional Name: [3-[(2-methyl-3-nitro-benzyl)thio]-5-(trifluoromethyl)-1,2,4-triazol-4-yl]amine Formula: C11H10F3N5O2S MolecularWeight: 333.28961

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])CSC2=NN=C(N2N)C(F)(F)F

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])CSC2=NN=C(N2N)C(F)(F)F

InChI

InChI=1S/C11H10F3N5O2S/c1-6-7(3-2-4-8(6)19(20)21)5-22-10-17-16-9(18(10)15)11(12,13)14/h2-4H,5,15H2,1H3