3-(4-tert-butylphenyl)-5-[(4-methylphenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole

Systemtic Name: 3-(4-tert-butylphenyl)-5-[(4-methylphenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole Openeye Name: 3-(4-tert-butylphenyl)-4-phenyl-5-(p-tolylmethylsulfanyl)-1,2,4-triazole CAS Name: 3-(4-tert-butylphenyl)-5-[(4-methylphenyl)methylthio]-4-phenyl-1,2,4-triazole IUPAC Name: 3-(4-tert-butylphenyl)-5-[(4-methylphenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole Traditional Name: 3-(4-tert-butylphenyl)-5-[(4-methylbenzyl)thio]-4-phenyl-1,2,4-triazole Formula: C26H27N3S MolecularWeight: 413.57768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C26H27N3S/c1-19-10-12-20(13-11-19)18-30-25-28-27-24(29(25)23-8-6-5-7-9-23)21-14-16-22(17-15-21)26(2,3)4/h5-17H,18H2,1-4H3