N-(2-chloranyl-4,6-dimethyl-phenyl)-2-[3-(3-fluoranyl-4-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-chloranyl-4,6-dimethyl-phenyl)-2-[3-(3-fluoranyl-4-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2-chloro-4,6-dimethyl-phenyl)-2-[3-(3-fluoro-4-methyl-phenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(2-chloro-4,6-dimethylphenyl)-2-[[3-(3-fluoro-4-methylphenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(2-chloro-4,6-dimethylphenyl)-2-[3-(3-fluoro-4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(2-chloro-4,6-dimethyl-phenyl)-2-[[3-(3-fluoro-4-methyl-phenyl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C25H21ClFN3O2S MolecularWeight: 481.969543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=C(C=C(C=C4Cl)C)C)F

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=C(C=C(C=C4Cl)C)C)F

InChI

InChI=1S/C25H21ClFN3O2S/c1-14-10-16(3)23(19(26)11-14)29-22(31)13-33-25-28-21-7-5-4-6-18(21)24(32)30(25)17-9-8-15(2)20(27)12-17/h4-12H,13H2,1-3H3,(H,29,31)