3-[[3-[(4-fluorophenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[[3-[(4-fluorophenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[3-[(4-fluorophenyl)methyl]-4-oxo-quinazolin-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[[3-[(4-fluorophenyl)methyl]-4-oxo-2-quinazolinyl]thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[[3-[(4-fluorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[[3-(4-fluorobenzyl)-4-keto-quinazolin-2-yl]thio]methyl]-1,2,3-benzotriazin-4-one Formula: C23H16FN5O2S MolecularWeight: 445.468843

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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)CC5=CC=C(C=C5)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCN3C(=O)C4=CC=CC=C4N=N3)CC5=CC=C(C=C5)F

InChI

InChI=1S/C23H16FN5O2S/c24-16-11-9-15(10-12-16)13-28-21(30)17-5-1-3-7-19(17)25-23(28)32-14-29-22(31)18-6-2-4-8-20(18)26-27-29/h1-12H,13-14H2