3-(3-fluoranyl-4-methyl-phenyl)-2-[2-oxidanylidene-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-(3-fluoranyl-4-methyl-phenyl)-2-[2-oxidanylidene-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]sulfanyl-quinazolin-4-one Openeye Name: 3-(3-fluoro-4-methyl-phenyl)-2-[2-oxo-2-[2-(2-thienyl)pyrrolidin-1-yl]ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-(3-fluoro-4-methylphenyl)-2-[[2-oxo-2-(2-thiophen-2-yl-1-pyrrolidinyl)ethyl]thio]-4-quinazolinone IUPAC Name: 3-(3-fluoro-4-methylphenyl)-2-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]sulfanylquinazolin-4-one Traditional Name: 3-(3-fluoro-4-methyl-phenyl)-2-[[2-keto-2-[2-(2-thienyl)pyrrolidino]ethyl]thio]quinazolin-4-one Formula: C25H22FN3O2S2 MolecularWeight: 479.589483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCCC4C5=CC=CS5)F

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCCC4C5=CC=CS5)F

InChI

InChI=1S/C25H22FN3O2S2/c1-16-10-11-17(14-19(16)26)29-24(31)18-6-2-3-7-20(18)27-25(29)33-15-23(30)28-12-4-8-21(28)22-9-5-13-32-22/h2-3,5-7,9-11,13-14,21H,4,8,12,15H2,1H3