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

Systemtic Name: 3-[[3-(3-ethoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[3-(3-ethoxypropyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[[3-(3-ethoxypropyl)-4-oxo-2-quinazolinyl]thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[[3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[[3-(3-ethoxypropyl)-4-keto-quinazolin-2-yl]thio]methyl]-1,2,3-benzotriazin-4-one Formula: C21H21N5O3S MolecularWeight: 423.48814

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN1C(=O)C2=CC=CC=C2N=C1SCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

CCOCCCN1C(=O)C2=CC=CC=C2N=C1SCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C21H21N5O3S/c1-2-29-13-7-12-25-19(27)15-8-3-5-10-17(15)22-21(25)30-14-26-20(28)16-9-4-6-11-18(16)23-24-26/h3-6,8-11H,2,7,12-14H2,1H3