N-(3,4-dichlorophenyl)-2-[4-oxidanylidene-3-(pyridin-4-ylmethyl)quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(3,4-dichlorophenyl)-2-[4-oxidanylidene-3-(pyridin-4-ylmethyl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(3,4-dichlorophenyl)-2-[4-oxo-3-(4-pyridylmethyl)quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(3,4-dichlorophenyl)-2-[[4-oxo-3-(pyridin-4-ylmethyl)-2-quinazolinyl]thio]acetamide IUPAC Name: N-(3,4-dichlorophenyl)-2-[4-oxo-3-(pyridin-4-ylmethyl)quinazolin-2-yl]sulfanylacetamide Traditional Name: N-(3,4-dichlorophenyl)-2-[[4-keto-3-(4-pyridylmethyl)quinazolin-2-yl]thio]acetamide Formula: C22H16Cl2N4O2S MolecularWeight: 471.35904

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)NC3=CC(=C(C=C3)Cl)Cl)CC4=CC=NC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)NC3=CC(=C(C=C3)Cl)Cl)CC4=CC=NC=C4

InChI

InChI=1S/C22H16Cl2N4O2S/c23-17-6-5-15(11-18(17)24)26-20(29)13-31-22-27-19-4-2-1-3-16(19)21(30)28(22)12-14-7-9-25-10-8-14/h1-11H,12-13H2,(H,26,29)