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

Systemtic Name: N-[3,5-bis(chloranyl)pyridin-2-yl]-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-propanamide Openeye Name: 2-(3-allyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(3,5-dichloro-2-pyridyl)propanamide CAS Name: N-(3,5-dichloro-2-pyridinyl)-2-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]propanamide IUPAC Name: N-(3,5-dichloropyridin-2-yl)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylpropanamide Traditional Name: 2-[(3-allyl-4-keto-quinazolin-2-yl)thio]-N-(3,5-dichloro-2-pyridyl)propionamide Formula: C19H16Cl2N4O2S MolecularWeight: 435.32694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=N1)Cl)Cl)SC2=NC3=CC=CC=C3C(=O)N2CC=C

Isomeric SMILES

CC(C(=O)NC1=C(C=C(C=N1)Cl)Cl)SC2=NC3=CC=CC=C3C(=O)N2CC=C

InChI

InChI=1S/C19H16Cl2N4O2S/c1-3-8-25-18(27)13-6-4-5-7-15(13)23-19(25)28-11(2)17(26)24-16-14(21)9-12(20)10-22-16/h3-7,9-11H,1,8H2,2H3,(H,22,24,26)