3-[(4-nitrophenyl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine

Systemtic Name: 3-[(4-nitrophenyl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine Openeye Name: 3-[(4-nitrophenyl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine CAS Name: 3-[(4-nitrophenyl)methylthio]-5-(trifluoromethyl)-1,2,4-triazol-4-amine IUPAC Name: 3-[(4-nitrophenyl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine Traditional Name: [3-[(4-nitrobenzyl)thio]-5-(trifluoromethyl)-1,2,4-triazol-4-yl]amine Formula: C10H8F3N5O2S MolecularWeight: 319.26303

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NN=C(N2N)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CSC2=NN=C(N2N)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C10H8F3N5O2S/c11-10(12,13)8-15-16-9(17(8)14)21-5-6-1-3-7(4-2-6)18(19)20/h1-4H,5,14H2