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

Systemtic Name: 3-[(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[(3-hexyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[(3-hexyl-4-oxo-2-quinazolinyl)thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[(3-hexyl-4-oxoquinazolin-2-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[(3-hexyl-4-keto-quinazolin-2-yl)thio]methyl]-1,2,3-benzotriazin-4-one Formula: C22H23N5O2S MolecularWeight: 421.51532

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C22H23N5O2S/c1-2-3-4-9-14-26-20(28)16-10-5-7-12-18(16)23-22(26)30-15-27-21(29)17-11-6-8-13-19(17)24-25-27/h5-8,10-13H,2-4,9,14-15H2,1H3