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

Systemtic Name: 3-[[4-oxidanylidene-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[3-(2-isopropylphenyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[[4-oxo-3-(2-propan-2-ylphenyl)-2-quinazolinyl]thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[(4-keto-3-o-cumenyl-quinazolin-2-yl)thio]methyl]-1,2,3-benzotriazin-4-one Formula: C25H21N5O2S MolecularWeight: 455.53154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCN4C(=O)C5=CC=CC=C5N=N4

Isomeric SMILES

CC(C)C1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCN4C(=O)C5=CC=CC=C5N=N4

InChI

InChI=1S/C25H21N5O2S/c1-16(2)17-9-5-8-14-22(17)30-24(32)18-10-3-6-12-20(18)26-25(30)33-15-29-23(31)19-11-4-7-13-21(19)27-28-29/h3-14,16H,15H2,1-2H3