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917746-74-8 | 4-(4-Fluoro-phenyl)-5-(naphthalen-1-yloxymethyl)-4H-[1,2,4]triazole-3-thiol
CAS No: 917746-74-8 Catalog No: AG01EZ4T MDL No:
Product Description
Catalog Number:
AG01EZ4T
Chemical Name:
4-(4-Fluoro-phenyl)-5-(naphthalen-1-yloxymethyl)-4H-[1,2,4]triazole-3-thiol
CAS Number:
917746-74-8
Molecular Formula:
C19H14FN3OS
Molecular Weight:
351.3974
IUPAC Name:
4-(4-fluorophenyl)-3-(naphthalen-1-yloxymethyl)-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C19H14FN3OS/c20-14-8-10-15(11-9-14)23-18(21-22-19(23)25)12-24-17-7-3-5-13-4-1-2-6-16(13)17/h1-11H,12H2,(H,22,25)
InChI Key:
BNDCBQAWLIDJBD-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)n1c(COc2cccc3c2cccc3)nnc1S
Properties
Complexity:
521
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.084g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
351.399g/mol
Monoisotopic Mass:
351.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
69A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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