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

Systemtic Name: 5-(2-cyclopentylethyl)-3-[(5-fluoranyl-2-methoxy-phenyl)methylsulfanyl]-1H-1,2,4-triazole Openeye Name: 5-(2-cyclopentylethyl)-3-[(5-fluoro-2-methoxy-phenyl)methylsulfanyl]-1H-1,2,4-triazole CAS Name: 5-(2-cyclopentylethyl)-3-[(5-fluoro-2-methoxyphenyl)methylthio]-1H-1,2,4-triazole IUPAC Name: 5-(2-cyclopentylethyl)-3-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole Traditional Name: 5-(2-cyclopentylethyl)-3-[(5-fluoro-2-methoxy-benzyl)thio]-1H-1,2,4-triazole Formula: C17H22FN3OS MolecularWeight: 335.439483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)F)CSC2=NNC(=N2)CCC3CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)F)CSC2=NNC(=N2)CCC3CCCC3

InChI

InChI=1S/C17H22FN3OS/c1-22-15-8-7-14(18)10-13(15)11-23-17-19-16(20-21-17)9-6-12-4-2-3-5-12/h7-8,10,12H,2-6,9,11H2,1H3,(H,19,20,21)