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

Systemtic Name: 3-[5-chloranyl-2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-5-ethyl-1H-1,2,4-triazole Openeye Name: 3-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-5-ethyl-1H-1,2,4-triazole CAS Name: 3-[[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]thio]-5-ethyl-1H-1,2,4-triazole IUPAC Name: 3-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-5-ethyl-1H-1,2,4-triazole Traditional Name: 3-[[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]thio]-5-ethyl-1H-1,2,4-triazole Formula: C11H8ClF3N4O2S MolecularWeight: 352.72003

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=NN1)SC2=C(C=C(C(=C2)Cl)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCC1=NC(=NN1)SC2=C(C=C(C(=C2)Cl)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C11H8ClF3N4O2S/c1-2-9-16-10(18-17-9)22-8-4-6(12)5(11(13,14)15)3-7(8)19(20)21/h3-4H,2H2,1H3,(H,16,17,18)