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

Systemtic Name: 3-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-5-propan-2-yl-1H-1,2,4-triazole Openeye Name: 5-isopropyl-3-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1H-1,2,4-triazole CAS Name: 3-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-5-propan-2-yl-1H-1,2,4-triazole IUPAC Name: 3-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-5-propan-2-yl-1H-1,2,4-triazole Traditional Name: 5-isopropyl-3-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-1H-1,2,4-triazole Formula: C12H11F3N4O2S MolecularWeight: 332.30155

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NN1)SC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=NC(=NN1)SC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C12H11F3N4O2S/c1-6(2)10-16-11(18-17-10)22-9-4-3-7(12(13,14)15)5-8(9)19(20)21/h3-6H,1-2H3,(H,16,17,18)