3-[(4-chlorophenyl)methylsulfanyl]-4-ethyl-5-[(2-propan-2-ylphenoxy)methyl]-1,2,4-triazole

Systemtic Name: 3-[(4-chlorophenyl)methylsulfanyl]-4-ethyl-5-[(2-propan-2-ylphenoxy)methyl]-1,2,4-triazole Openeye Name: 3-[(4-chlorophenyl)methylsulfanyl]-4-ethyl-5-[(2-isopropylphenoxy)methyl]-1,2,4-triazole CAS Name: 3-[(4-chlorophenyl)methylthio]-4-ethyl-5-[(2-propan-2-ylphenoxy)methyl]-1,2,4-triazole IUPAC Name: 3-[(4-chlorophenyl)methylsulfanyl]-4-ethyl-5-[(2-propan-2-ylphenoxy)methyl]-1,2,4-triazole Traditional Name: 3-[(4-chlorobenzyl)thio]-4-ethyl-5-[(2-isopropylphenoxy)methyl]-1,2,4-triazole Formula: C21H24ClN3OS MolecularWeight: 401.95276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=C(C=C2)Cl)COC3=CC=CC=C3C(C)C

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=C(C=C2)Cl)COC3=CC=CC=C3C(C)C

InChI

InChI=1S/C21H24ClN3OS/c1-4-25-20(13-26-19-8-6-5-7-18(19)15(2)3)23-24-21(25)27-14-16-9-11-17(22)12-10-16/h5-12,15H,4,13-14H2,1-3H3