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

Systemtic Name: 3-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-5-(4-methylphenyl)-1H-1,2,4-triazole Openeye Name: 3-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-5-(p-tolyl)-1H-1,2,4-triazole CAS Name: 3-[(4-tert-butyl-2,6-dimethylphenyl)methylthio]-5-(4-methylphenyl)-1H-1,2,4-triazole IUPAC Name: 3-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-5-(4-methylphenyl)-1H-1,2,4-triazole Traditional Name: 3-[(4-tert-butyl-2,6-dimethyl-benzyl)thio]-5-(p-tolyl)-1H-1,2,4-triazole Formula: C22H27N3S MolecularWeight: 365.53488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NN2)SCC3=C(C=C(C=C3C)C(C)(C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NN2)SCC3=C(C=C(C=C3C)C(C)(C)C)C

InChI

InChI=1S/C22H27N3S/c1-14-7-9-17(10-8-14)20-23-21(25-24-20)26-13-19-15(2)11-18(12-16(19)3)22(4,5)6/h7-12H,13H2,1-6H3,(H,23,24,25)