3-[[3-(3-chloranyl-4-fluoranyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[[3-(3-chloranyl-4-fluoranyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[3-(3-chloro-4-fluoro-phenyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[[3-(3-chloro-4-fluorophenyl)-4-oxo-2-quinazolinyl]thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[[3-(3-chloro-4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[[3-(3-chloro-4-fluoro-phenyl)-4-keto-quinazolin-2-yl]thio]methyl]-1,2,3-benzotriazin-4-one Formula: C22H13ClFN5O2S MolecularWeight: 465.887323

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCN3C(=O)C4=CC=CC=C4N=N3)C5=CC(=C(C=C5)F)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCN3C(=O)C4=CC=CC=C4N=N3)C5=CC(=C(C=C5)F)Cl

InChI

InChI=1S/C22H13ClFN5O2S/c23-16-11-13(9-10-17(16)24)29-21(31)14-5-1-3-7-18(14)25-22(29)32-12-28-20(30)15-6-2-4-8-19(15)26-27-28/h1-11H,12H2