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

Systemtic Name: 3-[(4-chlorophenyl)methylsulfanyl]-4-ethyl-5-[(4-ethylphenoxy)methyl]-1,2,4-triazole Openeye Name: 3-[(4-chlorophenyl)methylsulfanyl]-4-ethyl-5-[(4-ethylphenoxy)methyl]-1,2,4-triazole CAS Name: 3-[(4-chlorophenyl)methylthio]-4-ethyl-5-[(4-ethylphenoxy)methyl]-1,2,4-triazole IUPAC Name: 3-[(4-chlorophenyl)methylsulfanyl]-4-ethyl-5-[(4-ethylphenoxy)methyl]-1,2,4-triazole Traditional Name: 3-[(4-chlorobenzyl)thio]-4-ethyl-5-[(4-ethylphenoxy)methyl]-1,2,4-triazole Formula: C20H22ClN3OS MolecularWeight: 387.92618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC2=NN=C(N2CC)SCC3=CC=C(C=C3)Cl

Isomeric SMILES

CCC1=CC=C(C=C1)OCC2=NN=C(N2CC)SCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H22ClN3OS/c1-3-15-7-11-18(12-8-15)25-13-19-22-23-20(24(19)4-2)26-14-16-5-9-17(21)10-6-16/h5-12H,3-4,13-14H2,1-2H3