3,4-dimethyl-5-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1,2,4-triazole

Systemtic Name: 3,4-dimethyl-5-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1,2,4-triazole Openeye Name: 3,4-dimethyl-5-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1,2,4-triazole CAS Name: 3,4-dimethyl-5-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-1,2,4-triazole IUPAC Name: 3,4-dimethyl-5-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1,2,4-triazole Traditional Name: 3,4-dimethyl-5-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-1,2,4-triazole Formula: C11H9F3N4O2S MolecularWeight: 318.27497

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C)SC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=NN=C(N1C)SC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C11H9F3N4O2S/c1-6-15-16-10(17(6)2)21-9-4-3-7(11(12,13)14)5-8(9)18(19)20/h3-5H,1-2H3