1-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one

Systemtic Name: 1-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one Openeye Name: 4-allyl-1-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one CAS Name: 1-[(2-chloro-6-fluorophenyl)methylthio]-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one IUPAC Name: 1-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one Traditional Name: 4-allyl-1-[(2-chloro-6-fluoro-benzyl)thio]-[1,2,4]triazolo[4,3-a]quinazolin-5-one Formula: C19H14ClFN4OS MolecularWeight: 400.857063

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=CC=CC=C2N3C1=NN=C3SCC4=C(C=CC=C4Cl)F

Isomeric SMILES

C=CCN1C(=O)C2=CC=CC=C2N3C1=NN=C3SCC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C19H14ClFN4OS/c1-2-10-24-17(26)12-6-3-4-9-16(12)25-18(24)22-23-19(25)27-11-13-14(20)7-5-8-15(13)21/h2-9H,1,10-11H2