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

Systemtic Name: N-[3,5-bis(chloranyl)-4-methyl-pyridin-2-yl]-2-(3-butan-2-yl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(3,5-dichloro-4-methyl-2-pyridyl)-2-(4-oxo-3-sec-butyl-quinazolin-2-yl)sulfanyl-acetamide CAS Name: 2-[(3-butan-2-yl-4-oxo-2-quinazolinyl)thio]-N-(3,5-dichloro-4-methyl-2-pyridinyl)acetamide IUPAC Name: 2-(3-butan-2-yl-4-oxoquinazolin-2-yl)sulfanyl-N-(3,5-dichloro-4-methylpyridin-2-yl)acetamide Traditional Name: N-(3,5-dichloro-4-methyl-2-pyridyl)-2-[(4-keto-3-sec-butyl-quinazolin-2-yl)thio]acetamide Formula: C20H20Cl2N4O2S MolecularWeight: 451.3694

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=NC=C(C(=C3Cl)C)Cl

Isomeric SMILES

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=NC=C(C(=C3Cl)C)Cl

InChI

InChI=1S/C20H20Cl2N4O2S/c1-4-11(2)26-19(28)13-7-5-6-8-15(13)24-20(26)29-10-16(27)25-18-17(22)12(3)14(21)9-23-18/h5-9,11H,4,10H2,1-3H3,(H,23,25,27)