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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1)SC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCCC1=NC(=NN1)SC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C12H11F3N4O2S/c1-2-3-10-16-11(18-17-10)22-9-5-4-7(12(13,14)15)6-8(9)19(20)21/h4-6H,2-3H2,1H3,(H,16,17,18)