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

Systemtic Name: 3-[[3-(furan-2-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[3-(2-furylmethyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[[3-(2-furanylmethyl)-4-oxo-2-quinazolinyl]thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[[3-(2-furfuryl)-4-keto-quinazolin-2-yl]thio]methyl]-1,2,3-benzotriazin-4-one Formula: C21H15N5O3S MolecularWeight: 417.4405

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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)CC5=CC=CO5

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCN3C(=O)C4=CC=CC=C4N=N3)CC5=CC=CO5

InChI

InChI=1S/C21H15N5O3S/c27-19-15-7-1-3-9-17(15)22-21(25(19)12-14-6-5-11-29-14)30-13-26-20(28)16-8-2-4-10-18(16)23-24-26/h1-11H,12-13H2