4-(3-chloranyl-2-fluoranyl-phenyl)-5-propan-2-yl-1,2,4-triazole-3-thiolate

Systemtic Name: 4-(3-chloranyl-2-fluoranyl-phenyl)-5-propan-2-yl-1,2,4-triazole-3-thiolate Openeye Name: 4-(3-chloro-2-fluoro-phenyl)-5-isopropyl-1,2,4-triazole-3-thiolate CAS Name: 4-(3-chloro-2-fluorophenyl)-5-propan-2-yl-1,2,4-triazole-3-thiolate IUPAC Name: 4-(3-chloro-2-fluorophenyl)-5-propan-2-yl-1,2,4-triazole-3-thiolate Traditional Name: 4-(3-chloro-2-fluoro-phenyl)-5-isopropyl-1,2,4-triazole-3-thiolate Formula: C11H10ClFN3S- MolecularWeight: 270.733603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(N1C2=C(C(=CC=C2)Cl)F)[S-]

Isomeric SMILES

CC(C)C1=NN=C(N1C2=C(C(=CC=C2)Cl)F)[S-]

InChI

InChI=1S/C11H11ClFN3S/c1-6(2)10-14-15-11(17)16(10)8-5-3-4-7(12)9(8)13/h3-6H,1-2H3,(H,15,17)/p-1