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

Systemtic Name: 3-[[7-chloranyl-3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[(7-chloro-3-isopentyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[[7-chloro-3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[[7-chloro-3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[(7-chloro-3-isoamyl-4-keto-quinazolin-2-yl)thio]methyl]-1,2,3-benzotriazin-4-one Formula: C21H20ClN5O2S MolecularWeight: 441.9338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

CC(C)CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C21H20ClN5O2S/c1-13(2)9-10-26-19(28)16-8-7-14(22)11-18(16)23-21(26)30-12-27-20(29)15-5-3-4-6-17(15)24-25-27/h3-8,11,13H,9-10,12H2,1-2H3