6-bromanyl-2-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]sulfanyl-3-(2-methoxyethyl)quinazolin-4-one

Systemtic Name: 6-bromanyl-2-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]sulfanyl-3-(2-methoxyethyl)quinazolin-4-one Openeye Name: 6-bromo-2-[4-(4-fluorophenyl)-4-oxo-butyl]sulfanyl-3-(2-methoxyethyl)quinazolin-4-one CAS Name: 6-bromo-2-[[4-(4-fluorophenyl)-4-oxobutyl]thio]-3-(2-methoxyethyl)-4-quinazolinone IUPAC Name: 6-bromo-2-[4-(4-fluorophenyl)-4-oxobutyl]sulfanyl-3-(2-methoxyethyl)quinazolin-4-one Traditional Name: 6-bromo-2-[[4-(4-fluorophenyl)-4-keto-butyl]thio]-3-(2-methoxyethyl)quinazolin-4-one Formula: C21H20BrFN2O3S MolecularWeight: 479.362503

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCCCC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

COCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCCCC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H20BrFN2O3S/c1-28-11-10-25-20(27)17-13-15(22)6-9-18(17)24-21(25)29-12-2-3-19(26)14-4-7-16(23)8-5-14/h4-9,13H,2-3,10-12H2,1H3