N-(2-chloranylpyridin-3-yl)-2-[3-[(4-fluorophenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-chloranylpyridin-3-yl)-2-[3-[(4-fluorophenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2-chloro-3-pyridyl)-2-[3-[(4-fluorophenyl)methyl]-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(2-chloro-3-pyridinyl)-2-[[3-[(4-fluorophenyl)methyl]-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(2-chloropyridin-3-yl)-2-[3-[(4-fluorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(2-chloro-3-pyridyl)-2-[[3-(4-fluorobenzyl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C22H16ClFN4O2S MolecularWeight: 454.904443

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H16ClFN4O2S/c23-20-18(6-3-11-25-20)26-19(29)13-31-22-27-17-5-2-1-4-16(17)21(30)28(22)12-14-7-9-15(24)10-8-14/h1-11H,12-13H2,(H,26,29)