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

Systemtic Name: 3-[[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[3-(3-hydroxypropyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[[3-(3-hydroxypropyl)-4-oxo-2-quinazolinyl]thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[[3-(3-hydroxypropyl)-4-keto-quinazolin-2-yl]thio]methyl]-1,2,3-benzotriazin-4-one Formula: C19H17N5O3S MolecularWeight: 395.43498

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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)CCCO

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCN3C(=O)C4=CC=CC=C4N=N3)CCCO

InChI

InChI=1S/C19H17N5O3S/c25-11-5-10-23-17(26)13-6-1-3-8-15(13)20-19(23)28-12-24-18(27)14-7-2-4-9-16(14)21-22-24/h1-4,6-9,25H,5,10-12H2