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

Systemtic Name: 3-[(7-chloranyl-3-cyclopentyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[(7-chloro-3-cyclopentyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[(7-chloro-3-cyclopentyl-4-oxo-2-quinazolinyl)thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[(7-chloro-3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[(7-chloro-3-cyclopentyl-4-keto-quinazolin-2-yl)thio]methyl]-1,2,3-benzotriazin-4-one Formula: C21H18ClN5O2S MolecularWeight: 439.91792

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCN4C(=O)C5=CC=CC=C5N=N4

Isomeric SMILES

C1CCC(C1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCN4C(=O)C5=CC=CC=C5N=N4

InChI

InChI=1S/C21H18ClN5O2S/c22-13-9-10-16-18(11-13)23-21(27(20(16)29)14-5-1-2-6-14)30-12-26-19(28)15-7-3-4-8-17(15)24-25-26/h3-4,7-11,14H,1-2,5-6,12H2