200,000+ products from a single source!
sales@angenechem.com
126016-45-3 | 3H-1,2,4-Triazole-3-thione, 5-(5-bromo-3-phenyl-1H-indol-2-yl)-2,4-dihydro-4-phenyl-
CAS No: 126016-45-3 Catalog No: AG000QRJ MDL No:
Product Description
Catalog Number:
AG000QRJ
Chemical Name:
3H-1,2,4-Triazole-3-thione, 5-(5-bromo-3-phenyl-1H-indol-2-yl)-2,4-dihydro-4-phenyl-
CAS Number:
126016-45-3
Molecular Formula:
C22H15BrN4S
Molecular Weight:
447.3503
IUPAC Name:
3-(5-bromo-3-phenyl-1H-indol-2-yl)-4-phenyl-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C22H15BrN4S/c23-15-11-12-18-17(13-15)19(14-7-3-1-4-8-14)20(24-18)21-25-26-22(28)27(21)16-9-5-2-6-10-16/h1-13,24H,(H,26,28)
InChI Key:
NYXQBBQUOJHAMQ-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)c(c1ccccc1)c([nH]2)c1n[nH]c(=S)n1c1ccccc1
Properties
Complexity:
614
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
446.02g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
447.354g/mol
Monoisotopic Mass:
446.02g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
75.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.