3-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-4-phenyl-5-(phenylmethyl)-1,2,4-triazole

Systemtic Name: 3-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-4-phenyl-5-(phenylmethyl)-1,2,4-triazole Openeye Name: 3-benzyl-5-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole CAS Name: 3-[(2-chloro-6-fluorophenyl)methylthio]-4-phenyl-5-(phenylmethyl)-1,2,4-triazole IUPAC Name: 3-benzyl-5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole Traditional Name: 3-benzyl-5-[(2-chloro-6-fluoro-benzyl)thio]-4-phenyl-1,2,4-triazole Formula: C22H17ClFN3S MolecularWeight: 409.906883

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NN=C(N2C3=CC=CC=C3)SCC4=C(C=CC=C4Cl)F

Isomeric SMILES

C1=CC=C(C=C1)CC2=NN=C(N2C3=CC=CC=C3)SCC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C22H17ClFN3S/c23-19-12-7-13-20(24)18(19)15-28-22-26-25-21(14-16-8-3-1-4-9-16)27(22)17-10-5-2-6-11-17/h1-13H,14-15H2