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

Systemtic Name: 3-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-4-(4-phenylmethoxyphenyl)-1,2,4-triazole Openeye Name: 4-(4-benzyloxyphenyl)-3-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-[(2-chloro-6-fluorophenyl)methylthio]-4-(4-phenylmethoxyphenyl)-1,2,4-triazole IUPAC Name: 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4-(4-phenylmethoxyphenyl)-1,2,4-triazole Traditional Name: 4-(4-benzoxyphenyl)-3-[(2-chloro-6-fluoro-benzyl)thio]-1,2,4-triazole Formula: C22H17ClFN3OS MolecularWeight: 425.906283

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)N3C=NN=C3SCC4=C(C=CC=C4Cl)F

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)N3C=NN=C3SCC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C22H17ClFN3OS/c23-20-7-4-8-21(24)19(20)14-29-22-26-25-15-27(22)17-9-11-18(12-10-17)28-13-16-5-2-1-3-6-16/h1-12,15H,13-14H2