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The molecular formula of the compound is C11H9ClN2OS.
The compound was created on 2005-07-15 and last modified on 2023-12-30.
The IUPAC name of the compound is 7-chloro-3-prop-2-enyl-2-sulfanylidene-1H-quinazolin-4-one.
The InChI of the compound is InChI=1S/C11H9ClN2OS/c1-2-5-14-10(15)8-4-3-7(12)6-9(8)13-11(14)16/h2-4,6H,1,5H2,(H,13,16).
The Canonical SMILES of the compound is C=CCN1C(=O)C2=C(C=C(C=C2)Cl)NC1=S.
The molecular weight of the compound is 252.72 g/mol.
There is 1 hydrogen bond donor count in the compound.
The topological polar surface area of the compound is 64.4 Ų.
There are 2 rotatable bond counts in the compound.
Yes, the compound is canonicalized according to PubChem.
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