3-[(4-chlorophenyl)methylsulfanyl]-5-[(5-methyl-2-propan-2-yl-phenoxy)methyl]-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-[(4-chlorophenyl)methylsulfanyl]-5-[(5-methyl-2-propan-2-yl-phenoxy)methyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(4-chlorophenyl)methylsulfanyl]-5-[(2-isopropyl-5-methyl-phenoxy)methyl]-1,2,4-triazole CAS Name: 3-[(4-chlorophenyl)methylthio]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(4-chlorophenyl)methylsulfanyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(4-chlorobenzyl)thio]-5-[(2-isopropyl-5-methyl-phenoxy)methyl]-1,2,4-triazole Formula: C23H26ClN3OS MolecularWeight: 427.99004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCC2=NN=C(N2CC=C)SCC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OCC2=NN=C(N2CC=C)SCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H26ClN3OS/c1-5-12-27-22(14-28-21-13-17(4)6-11-20(21)16(2)3)25-26-23(27)29-15-18-7-9-19(24)10-8-18/h5-11,13,16H,1,12,14-15H2,2-4H3