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Home > Pyridines > 500119-14-2
500119-14-2 | 3-(5-Benzylsulfanyl-4-phenyl-4H-[1,2,4]triazol-3-yl)-pyridine
CAS No: 500119-14-2 Catalog No: AG01EW6P MDL No:
Product Description
Catalog Number:
AG01EW6P
Chemical Name:
3-(5-Benzylsulfanyl-4-phenyl-4H-[1,2,4]triazol-3-yl)-pyridine
CAS Number:
500119-14-2
Molecular Formula:
C20H16N4S
Molecular Weight:
344.4328
IUPAC Name:
3-(5-benzylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)pyridine
InChI:
InChI=1S/C20H16N4S/c1-3-8-16(9-4-1)15-25-20-23-22-19(17-10-7-13-21-14-17)24(20)18-11-5-2-6-12-18/h1-14H,15H2
InChI Key:
BOZJEWJQHLEDTM-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)n1c(SCc2ccccc2)nnc1c1cccnc1
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.11g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
344.436g/mol
Monoisotopic Mass:
344.11g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
68.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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