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

Systemtic Name: 3-tridecyl-4-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-thione Openeye Name: 3-tridecyl-4-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-thione CAS Name: 3-tridecyl-4-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 3-tridecyl-4-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-thione Traditional Name: 3-tridecyl-4-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-thione Formula: C22H32F3N3S MolecularWeight: 427.56979

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC1=NNC(=S)N1C2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

CCCCCCCCCCCCCC1=NNC(=S)N1C2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C22H32F3N3S/c1-2-3-4-5-6-7-8-9-10-11-12-16-20-26-27-21(29)28(20)19-15-13-14-18(17-19)22(23,24)25/h13-15,17H,2-12,16H2,1H3,(H,27,29)