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

Systemtic Name: 3-[[7-chloranyl-3-(furan-2-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[7-chloro-3-(2-furylmethyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[[7-chloro-3-(2-furanylmethyl)-4-oxo-2-quinazolinyl]thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[[7-chloro-3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[[7-chloro-3-(2-furfuryl)-4-keto-quinazolin-2-yl]thio]methyl]-1,2,3-benzotriazin-4-one Formula: C21H14ClN5O3S MolecularWeight: 451.88556

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(N=N2)CSC3=NC4=C(C=CC(=C4)Cl)C(=O)N3CC5=CC=CO5

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(N=N2)CSC3=NC4=C(C=CC(=C4)Cl)C(=O)N3CC5=CC=CO5

InChI

InChI=1S/C21H14ClN5O3S/c22-13-7-8-16-18(10-13)23-21(26(19(16)28)11-14-4-3-9-30-14)31-12-27-20(29)15-5-1-2-6-17(15)24-25-27/h1-10H,11-12H2