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

Systemtic Name: 3-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-5-(4-cyclopentyloxyphenyl)-4-methyl-1,2,4-triazole Openeye Name: 3-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-5-[4-(cyclopentoxy)phenyl]-4-methyl-1,2,4-triazole CAS Name: 3-[(2-chloro-6-fluorophenyl)methylthio]-5-(4-cyclopentyloxyphenyl)-4-methyl-1,2,4-triazole IUPAC Name: 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-(4-cyclopentyloxyphenyl)-4-methyl-1,2,4-triazole Traditional Name: 3-[(2-chloro-6-fluoro-benzyl)thio]-5-[4-(cyclopentoxy)phenyl]-4-methyl-1,2,4-triazole Formula: C21H21ClFN3OS MolecularWeight: 417.927343

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=C(C=CC=C2Cl)F)C3=CC=C(C=C3)OC4CCCC4

Isomeric SMILES

CN1C(=NN=C1SCC2=C(C=CC=C2Cl)F)C3=CC=C(C=C3)OC4CCCC4

InChI

InChI=1S/C21H21ClFN3OS/c1-26-20(14-9-11-16(12-10-14)27-15-5-2-3-6-15)24-25-21(26)28-13-17-18(22)7-4-8-19(17)23/h4,7-12,15H,2-3,5-6,13H2,1H3