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

Systemtic Name: 3-[(3-azanyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[(3-amino-4-oxo-quinazolin-2-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[(3-amino-4-oxo-2-quinazolinyl)thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[(3-amino-4-oxoquinazolin-2-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[(3-amino-4-keto-quinazolin-2-yl)thio]methyl]-1,2,3-benzotriazin-4-one Formula: C16H12N6O2S MolecularWeight: 352.37048

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCN3C(=O)C4=CC=CC=C4N=N3)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCN3C(=O)C4=CC=CC=C4N=N3)N

InChI

InChI=1S/C16H12N6O2S/c17-22-15(24)10-5-1-3-7-12(10)18-16(22)25-9-21-14(23)11-6-2-4-8-13(11)19-20-21/h1-8H,9,17H2