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

Systemtic Name: 3-[(3-butan-2-yl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[(4-oxo-3-sec-butyl-quinazolin-2-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[(3-butan-2-yl-4-oxo-2-quinazolinyl)thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[(3-butan-2-yl-4-oxoquinazolin-2-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[(4-keto-3-sec-butyl-quinazolin-2-yl)thio]methyl]-1,2,3-benzotriazin-4-one Formula: C20H19N5O2S MolecularWeight: 393.46216

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C20H19N5O2S/c1-3-13(2)25-19(27)14-8-4-6-10-16(14)21-20(25)28-12-24-18(26)15-9-5-7-11-17(15)22-23-24/h4-11,13H,3,12H2,1-2H3