N-[3,5-bis(chloranyl)pyridin-2-yl]-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[3,5-bis(chloranyl)pyridin-2-yl]-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: 2-(3-allyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(3,5-dichloro-2-pyridyl)acetamide CAS Name: N-(3,5-dichloro-2-pyridinyl)-2-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]acetamide IUPAC Name: N-(3,5-dichloropyridin-2-yl)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide Traditional Name: 2-[(3-allyl-4-keto-quinazolin-2-yl)thio]-N-(3,5-dichloro-2-pyridyl)acetamide Formula: C18H14Cl2N4O2S MolecularWeight: 421.30036

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(C=C(C=N3)Cl)Cl

Isomeric SMILES

C=CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(C=C(C=N3)Cl)Cl

InChI

InChI=1S/C18H14Cl2N4O2S/c1-2-7-24-17(26)12-5-3-4-6-14(12)22-18(24)27-10-15(25)23-16-13(20)8-11(19)9-21-16/h2-6,8-9H,1,7,10H2,(H,21,23,25)