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3-[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]sulfanylpropanoate

3-[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]sulfanylpropanoate

Systemtic Name:3-[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]sulfanylpropanoate
Openeye Name:3-[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]sulfanylpropanoate
CAS Name:3-[[6-methyl-2-(trifluoromethyl)-4-quinazolinyl]thio]propanoate
IUPAC Name:3-[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]sulfanylpropanoate
Traditional Name:3-[[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]thio]propionate
Formula: C13H10F3N2O2S-
MolecularWeight: 315.29091
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N=C2SCCC(=O)[O-])C(F)(F)F


Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N=C2SCCC(=O)[O-])C(F)(F)F


InChI

InChI=1S/C13H11F3N2O2S/c1-7-2-3-9-8(6-7)11(21-5-4-10(19)20)18-12(17-9)13(14,15)16/h2-3,6H,4-5H2,1H3,(H,19,20)/p-1


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