3-[[7-chloranyl-3-(3-ethoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[[7-chloranyl-3-(3-ethoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[7-chloro-3-(3-ethoxypropyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[[7-chloro-3-(3-ethoxypropyl)-4-oxo-2-quinazolinyl]thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[[7-chloro-3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[[7-chloro-3-(3-ethoxypropyl)-4-keto-quinazolin-2-yl]thio]methyl]-1,2,3-benzotriazin-4-one Formula: C21H20ClN5O3S MolecularWeight: 457.9332

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

CCOCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C21H20ClN5O3S/c1-2-30-11-5-10-26-19(28)16-9-8-14(22)12-18(16)23-21(26)31-13-27-20(29)15-6-3-4-7-17(15)24-25-27/h3-4,6-9,12H,2,5,10-11,13H2,1H3