3-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl-2-methyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl-2-methyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl-2-methyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[2,6-dinitro-4-(trifluoromethyl)phenyl]thio]-2-methyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl-2-methyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2,6-dinitro-4-(trifluoromethyl)phenyl]thio]-2-methyl-1H-1,2,4-triazol-5-one Formula: C10H6F3N5O5S MolecularWeight: 365.24535

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC(=O)N1)SC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CN1C(=NC(=O)N1)SC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C10H6F3N5O5S/c1-16-9(14-8(19)15-16)24-7-5(17(20)21)2-4(10(11,12)13)3-6(7)18(22)23/h2-3H,1H3,(H,15,19)