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

Systemtic Name: 2-methyl-4-phenyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazole-3-thione Openeye Name: 2-methyl-4-phenyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazole-3-thione CAS Name: 2-methyl-4-phenyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazole-3-thione IUPAC Name: 2-methyl-4-phenyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazole-3-thione Traditional Name: 2-methyl-4-phenyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazole-3-thione Formula: C16H12F3N3S MolecularWeight: 335.34679

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=S)N(C(=N1)C2=CC=C(C=C2)C(F)(F)F)C3=CC=CC=C3

Isomeric SMILES

CN1C(=S)N(C(=N1)C2=CC=C(C=C2)C(F)(F)F)C3=CC=CC=C3

InChI

InChI=1S/C16H12F3N3S/c1-21-15(23)22(13-5-3-2-4-6-13)14(20-21)11-7-9-12(10-8-11)16(17,18)19/h2-10H,1H3