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

Systemtic Name: 3-[[4-oxidanylidene-3-(3-phenylpropyl)quinazolin-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[4-oxo-3-(3-phenylpropyl)quinazolin-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[[4-oxo-3-(3-phenylpropyl)-2-quinazolinyl]thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[[4-oxo-3-(3-phenylpropyl)quinazolin-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[[4-keto-3-(3-phenylpropyl)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:

C1=CC=C(C=C1)CCCN2C(=O)C3=CC=CC=C3N=C2SCN4C(=O)C5=CC=CC=C5N=N4

Isomeric SMILES

C1=CC=C(C=C1)CCCN2C(=O)C3=CC=CC=C3N=C2SCN4C(=O)C5=CC=CC=C5N=N4

InChI

InChI=1S/C25H21N5O2S/c31-23-19-12-4-6-14-21(19)26-25(29(23)16-8-11-18-9-2-1-3-10-18)33-17-30-24(32)20-13-5-7-15-22(20)27-28-30/h1-7,9-10,12-15H,8,11,16-17H2