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

Systemtic Name: 3-[[4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[(3-benzyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[[4-oxo-3-(phenylmethyl)-2-quinazolinyl]thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[(3-benzyl-4-oxoquinazolin-2-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[(3-benzyl-4-keto-quinazolin-2-yl)thio]methyl]-1,2,3-benzotriazin-4-one Formula: C23H17N5O2S MolecularWeight: 427.47838

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCN4C(=O)C5=CC=CC=C5N=N4

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCN4C(=O)C5=CC=CC=C5N=N4

InChI

InChI=1S/C23H17N5O2S/c29-21-17-10-4-6-12-19(17)24-23(27(21)14-16-8-2-1-3-9-16)31-15-28-22(30)18-11-5-7-13-20(18)25-26-28/h1-13H,14-15H2