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

Systemtic Name: N-[3,5-bis(chloranyl)pyridin-2-yl]-2-(3-butan-2-yl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(3,5-dichloro-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-2-pyridinyl)acetamide IUPAC Name: 2-(3-butan-2-yl-4-oxoquinazolin-2-yl)sulfanyl-N-(3,5-dichloropyridin-2-yl)acetamide Traditional Name: N-(3,5-dichloro-2-pyridyl)-2-[(4-keto-3-sec-butyl-quinazolin-2-yl)thio]acetamide Formula: C19H18Cl2N4O2S MolecularWeight: 437.34282

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(C=C(C=N3)Cl)Cl

Isomeric SMILES

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(C=C(C=N3)Cl)Cl

InChI

InChI=1S/C19H18Cl2N4O2S/c1-3-11(2)25-18(27)13-6-4-5-7-15(13)23-19(25)28-10-16(26)24-17-14(21)8-12(20)9-22-17/h4-9,11H,3,10H2,1-2H3,(H,22,24,26)