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Home > Quinoline > 588687-17-6
588687-17-6 | 4-ethyl-5-[2-(4-methylphenyl)quinolin-4-yl]-4H-1,2,4-triazole-3-thiol
CAS No: 588687-17-6 Catalog No: AG019NY4 MDL No:MFCD03943275
Product Description
Catalog Number:
AG019NY4
Chemical Name:
4-ethyl-5-[2-(4-methylphenyl)quinolin-4-yl]-4H-1,2,4-triazole-3-thiol
CAS Number:
588687-17-6
Molecular Formula:
C20H18N4S
Molecular Weight:
346.4487
MDL Number:
MFCD03943275
IUPAC Name:
4-ethyl-3-[2-(4-methylphenyl)quinolin-4-yl]-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C20H18N4S/c1-3-24-19(22-23-20(24)25)16-12-18(14-10-8-13(2)9-11-14)21-17-7-5-4-6-15(16)17/h4-12H,3H2,1-2H3,(H,23,25)
InChI Key:
DCJXKVOVXLZDTP-UHFFFAOYSA-N
SMILES:
CCn1c(S)nnc1c1cc(nc2c1cccc2)c1ccc(cc1)C
Properties
Complexity:
526
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.125g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
346.452g/mol
Monoisotopic Mass:
346.125g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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