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Home >> Chemical Listing >> D >> 4-(2,4-Dimethylphenyl)-1-thioxo-2,4-dihydro[1,2,4]triazolo[4,3-a]quinazolin-5(1H)-one

4-(2,4-Dimethylphenyl)-1-thioxo-2,4-dihydro[1,2,4]triazolo[4,3-a]quinazolin-5(1H)-one
[CAS 85772-36-7]

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Identification
Name 4-(2,4-Dimethylphenyl)-1-thioxo-2,4-dihydro[1,2,4]triazolo[4,3-a]quinazolin-5(1H)-one
Synonyms MFCD04614702; ZINC03887228
Molecular Structure CAS#: 85772-36-7， 4-(2,4-Dimethylphenyl)-1-thioxo-2,4-dihydro[1,2,4]triazolo[4,3-a]quinazolin-5(1H)-one
Molecular Formula C17H14N4OS
Molecular Weight 322.38
CAS Registry Number 85772-36-7
SMILES O=C2c4c(N1C(=N/NC1=S)\N2c3ccc(cc3C)C)cccc4
InChI 1S/C17H14N4OS/c1-10-7-8-13(11(2)9-10)20-15(22)12-5-3-4-6-14(12)21-16(20)18-19-17(21)23/h3-9H,1-2H3,(H,19,23)
InChIKey YAJUUBCNFFANJR-UHFFFAOYSA-N
Properties
Density 1.417g/cm3 (Cal.)
Boiling point 482.494°C at 760 mmHg (Cal.)
Flash point 245.604°C (Cal.)
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