2-[2-[2-[bis(fluoranyl)methoxy]-5-methyl-phenyl]-2-oxidanylidene-ethyl]sulfanyl-3-propyl-quinazolin-4-one

Systemtic Name: 2-[2-[2-[bis(fluoranyl)methoxy]-5-methyl-phenyl]-2-oxidanylidene-ethyl]sulfanyl-3-propyl-quinazolin-4-one Openeye Name: 2-[2-[2-(difluoromethoxy)-5-methyl-phenyl]-2-oxo-ethyl]sulfanyl-3-propyl-quinazolin-4-one CAS Name: 2-[[2-[2-(difluoromethoxy)-5-methylphenyl]-2-oxoethyl]thio]-3-propyl-4-quinazolinone IUPAC Name: 2-[2-[2-(difluoromethoxy)-5-methylphenyl]-2-oxoethyl]sulfanyl-3-propylquinazolin-4-one Traditional Name: 2-[[2-[2-(difluoromethoxy)-5-methyl-phenyl]-2-keto-ethyl]thio]-3-propyl-quinazolin-4-one Formula: C21H20F2N2O3S MolecularWeight: 418.456906

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=C(C=CC(=C3)C)OC(F)F

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=C(C=CC(=C3)C)OC(F)F

InChI

InChI=1S/C21H20F2N2O3S/c1-3-10-25-19(27)14-6-4-5-7-16(14)24-21(25)29-12-17(26)15-11-13(2)8-9-18(15)28-20(22)23/h4-9,11,20H,3,10,12H2,1-2H3