S-(5-oxidanylidene-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl) 3-(trifluoromethyl)benzenecarbothioate

Systemtic Name: S-(5-oxidanylidene-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl) 3-(trifluoromethyl)benzenecarbothioate Openeye Name: S-(4-allyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl) 3-(trifluoromethyl)benzenecarbothioate CAS Name: 3-(trifluoromethyl)benzenecarbothioic acid S-(5-oxo-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl) ester IUPAC Name: S-(5-oxo-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl) 3-(trifluoromethyl)benzenecarbothioate Traditional Name: 3-(trifluoromethyl)thiobenzoic acid S-(4-allyl-5-keto-[1,2,4]triazolo[4,3-a]quinazolin-1-yl) ester Formula: C20H13F3N4O2S MolecularWeight: 430.40303

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=CC=CC=C2N3C1=NN=C3SC(=O)C4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

C=CCN1C(=O)C2=CC=CC=C2N3C1=NN=C3SC(=O)C4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C20H13F3N4O2S/c1-2-10-26-16(28)14-8-3-4-9-15(14)27-18(26)24-25-19(27)30-17(29)12-6-5-7-13(11-12)20(21,22)23/h2-9,11H,1,10H2