3-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-5-(4-chlorophenyl)-4-methyl-1,2,4-triazole

Systemtic Name: 3-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-5-(4-chlorophenyl)-4-methyl-1,2,4-triazole Openeye Name: 3-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-5-(4-chlorophenyl)-4-methyl-1,2,4-triazole CAS Name: 3-[(4-tert-butyl-2,6-dimethylphenyl)methylthio]-5-(4-chlorophenyl)-4-methyl-1,2,4-triazole IUPAC Name: 3-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-5-(4-chlorophenyl)-4-methyl-1,2,4-triazole Traditional Name: 3-[(4-tert-butyl-2,6-dimethyl-benzyl)thio]-5-(4-chlorophenyl)-4-methyl-1,2,4-triazole Formula: C22H26ClN3S MolecularWeight: 399.97994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CSC2=NN=C(N2C)C3=CC=C(C=C3)Cl)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1CSC2=NN=C(N2C)C3=CC=C(C=C3)Cl)C)C(C)(C)C

InChI

InChI=1S/C22H26ClN3S/c1-14-11-17(22(3,4)5)12-15(2)19(14)13-27-21-25-24-20(26(21)6)16-7-9-18(23)10-8-16/h7-12H,13H2,1-6H3