3-(2-chlorophenyl)-4-cyclopentyl-5-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-1,2,4-triazole

Systemtic Name: 3-(2-chlorophenyl)-4-cyclopentyl-5-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-(2-chlorophenyl)-4-cyclopentyl-5-[(3-fluoro-4-methoxy-phenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(2-chlorophenyl)-4-cyclopentyl-5-[(3-fluoro-4-methoxyphenyl)methylthio]-1,2,4-triazole IUPAC Name: 3-(2-chlorophenyl)-4-cyclopentyl-5-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-(2-chlorophenyl)-4-cyclopentyl-5-[(3-fluoro-4-methoxy-benzyl)thio]-1,2,4-triazole Formula: C21H21ClFN3OS MolecularWeight: 417.927343

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2=NN=C(N2C3CCCC3)C4=CC=CC=C4Cl)F

Isomeric SMILES

COC1=C(C=C(C=C1)CSC2=NN=C(N2C3CCCC3)C4=CC=CC=C4Cl)F

InChI

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