4-methyl-3-(5-methyl-2,4-dinitro-phenyl)sulfanyl-5-(trifluoromethyl)-1,2,4-triazole

Systemtic Name: 4-methyl-3-(5-methyl-2,4-dinitro-phenyl)sulfanyl-5-(trifluoromethyl)-1,2,4-triazole Openeye Name: 4-methyl-3-(5-methyl-2,4-dinitro-phenyl)sulfanyl-5-(trifluoromethyl)-1,2,4-triazole CAS Name: 4-methyl-3-[(5-methyl-2,4-dinitrophenyl)thio]-5-(trifluoromethyl)-1,2,4-triazole IUPAC Name: 4-methyl-3-(5-methyl-2,4-dinitrophenyl)sulfanyl-5-(trifluoromethyl)-1,2,4-triazole Traditional Name: 4-methyl-3-[(5-methyl-2,4-dinitro-phenyl)thio]-5-(trifluoromethyl)-1,2,4-triazole Formula: C11H8F3N5O4S MolecularWeight: 363.27253

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])SC2=NN=C(N2C)C(F)(F)F

Isomeric SMILES

CC1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])SC2=NN=C(N2C)C(F)(F)F

InChI

InChI=1S/C11H8F3N5O4S/c1-5-3-8(7(19(22)23)4-6(5)18(20)21)24-10-16-15-9(17(10)2)11(12,13)14/h3-4H,1-2H3