2-[(5-oxidanylidene-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]propanamide

Systemtic Name: 2-[(5-oxidanylidene-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]propanamide Openeye Name: 2-[(4-allyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]propanamide CAS Name: 2-[(5-oxo-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)thio]-N-[3-(trifluoromethyl)phenyl]propanamide IUPAC Name: 2-[(5-oxo-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]propanamide Traditional Name: 2-[(4-allyl-5-keto-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)thio]-N-[3-(trifluoromethyl)phenyl]propionamide Formula: C22H18F3N5O2S MolecularWeight: 473.47083

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C(F)(F)F)SC2=NN=C3N2C4=CC=CC=C4C(=O)N3CC=C

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=C1)C(F)(F)F)SC2=NN=C3N2C4=CC=CC=C4C(=O)N3CC=C

InChI

InChI=1S/C22H18F3N5O2S/c1-3-11-29-19(32)16-9-4-5-10-17(16)30-20(29)27-28-21(30)33-13(2)18(31)26-15-8-6-7-14(12-15)22(23,24)25/h3-10,12-13H,1,11H2,2H3,(H,26,31)