AC1MR53B

3-[(4-tert-butylphenyl)methylsulfanyl]-4-(4-chlorophenyl)-5-(3-methoxyphenyl)-1,2,4-triazole

Also Known As: 3-((4-(tert-butyl)benzyl)thio)-4-(4-chlorophenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazole|1-(5-{[4-(tert-butyl)phenyl]methylthio}-4-(4-chlorophenyl)(1,2,4-triazol-3-yl) )-3-methoxybenzene|3-[(4-tert-butylbenzyl)sulfanyl]-4-(4-chlorophenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazole|3-[(4-tert-butylphenyl)methylsulfanyl]-4-(4-chlorophenyl)-5-(3-methoxyphenyl)-1,2,4-triazole|3-{[(4-tert-butylphenyl)methyl]sulfanyl}-4-(4-chlorophenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazole|4-(4-chlorophenyl)-3-(3-methoxyphenyl)-5-[(4-tert-butylphenyl)methylsulfanyl]-1,2,4-triazole

Molecular Formula	C26H26ClN3OS
Molecular Weight	463.1485 g/mol
LogP	7.1861
Topological Polar Surface Area	39.94 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	4
Rotatable Bonds	6
Exact Mass	463.1485
Monoisotopic Mass	463.1485
Heavy Atoms	32
Complexity	1195.2267

Chemical Identifiers

CAS Number	861111-53-7
SMILES	CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)C4=CC(=CC=C4)OC