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

Systemtic Name: 3-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1H-1,2,4-triazol-5-amine Openeye Name: 3-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1H-1,2,4-triazol-5-amine CAS Name: 3-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-1H-1,2,4-triazol-5-amine IUPAC Name: 3-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1H-1,2,4-triazol-5-amine Traditional Name: [3-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-1H-1,2,4-triazol-5-yl]amine Formula: C9H6F3N5O2S MolecularWeight: 305.23645

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])SC2=NNC(=N2)N

Isomeric SMILES

C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])SC2=NNC(=N2)N

InChI

InChI=1S/C9H6F3N5O2S/c10-9(11,12)4-1-2-6(5(3-4)17(18)19)20-8-14-7(13)15-16-8/h1-3H,(H3,13,14,15,16)