4-[2-chloranyl-6-(trifluoromethyl)phenyl]-3-propyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-[2-chloranyl-6-(trifluoromethyl)phenyl]-3-propyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-[2-chloro-6-(trifluoromethyl)phenyl]-3-propyl-1H-1,2,4-triazole-5-thione CAS Name: 4-[2-chloro-6-(trifluoromethyl)phenyl]-3-propyl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[2-chloro-6-(trifluoromethyl)phenyl]-3-propyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-[2-chloro-6-(trifluoromethyl)phenyl]-3-propyl-1H-1,2,4-triazole-5-thione Formula: C12H11ClF3N3S MolecularWeight: 321.74905

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NNC(=S)N1C2=C(C=CC=C2Cl)C(F)(F)F

Isomeric SMILES

CCCC1=NNC(=S)N1C2=C(C=CC=C2Cl)C(F)(F)F

InChI

InChI=1S/C12H11ClF3N3S/c1-2-4-9-17-18-11(20)19(9)10-7(12(14,15)16)5-3-6-8(10)13/h3,5-6H,2,4H2,1H3,(H,18,20)