3-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]-4-methyl-5-phenyl-1,2,4-triazole

Systemtic Name: 3-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]-4-methyl-5-phenyl-1,2,4-triazole Openeye Name: 3-[(2-chloro-4-fluoro-phenyl)methylsulfanyl]-4-methyl-5-phenyl-1,2,4-triazole CAS Name: 3-[(2-chloro-4-fluorophenyl)methylthio]-4-methyl-5-phenyl-1,2,4-triazole IUPAC Name: 3-[(2-chloro-4-fluorophenyl)methylsulfanyl]-4-methyl-5-phenyl-1,2,4-triazole Traditional Name: 3-[(2-chloro-4-fluoro-benzyl)thio]-4-methyl-5-phenyl-1,2,4-triazole Formula: C16H13ClFN3S MolecularWeight: 333.810923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=C(C=C(C=C2)F)Cl)C3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=C1SCC2=C(C=C(C=C2)F)Cl)C3=CC=CC=C3

InChI

InChI=1S/C16H13ClFN3S/c1-21-15(11-5-3-2-4-6-11)19-20-16(21)22-10-12-7-8-13(18)9-14(12)17/h2-9H,10H2,1H3