3-(4-chlorophenyl)-5-[(4,5-dimethoxy-2-methyl-phenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-(4-chlorophenyl)-5-[(4,5-dimethoxy-2-methyl-phenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-(4-chlorophenyl)-5-[(4,5-dimethoxy-2-methyl-phenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(4-chlorophenyl)-5-[(4,5-dimethoxy-2-methylphenyl)methylthio]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-(4-chlorophenyl)-5-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-(4-chlorophenyl)-5-[(4,5-dimethoxy-2-methyl-benzyl)thio]-1,2,4-triazole Formula: C21H22ClN3O2S MolecularWeight: 415.93628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CSC2=NN=C(N2CC=C)C3=CC=C(C=C3)Cl)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1CSC2=NN=C(N2CC=C)C3=CC=C(C=C3)Cl)OC)OC

InChI

InChI=1S/C21H22ClN3O2S/c1-5-10-25-20(15-6-8-17(22)9-7-15)23-24-21(25)28-13-16-12-19(27-4)18(26-3)11-14(16)2/h5-9,11-12H,1,10,13H2,2-4H3