3-(3-fluoranyl-4-methyl-phenyl)-2-(2-oxidanylidenecycloheptyl)sulfanyl-quinazolin-4-one

Systemtic Name: 3-(3-fluoranyl-4-methyl-phenyl)-2-(2-oxidanylidenecycloheptyl)sulfanyl-quinazolin-4-one Openeye Name: 3-(3-fluoro-4-methyl-phenyl)-2-(2-oxocycloheptyl)sulfanyl-quinazolin-4-one CAS Name: 3-(3-fluoro-4-methylphenyl)-2-[(2-oxocycloheptyl)thio]-4-quinazolinone IUPAC Name: 3-(3-fluoro-4-methylphenyl)-2-(2-oxocycloheptyl)sulfanylquinazolin-4-one Traditional Name: 3-(3-fluoro-4-methyl-phenyl)-2-[(2-ketocycloheptyl)thio]quinazolin-4-one Formula: C22H21FN2O2S MolecularWeight: 396.477743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC4CCCCCC4=O)F

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC4CCCCCC4=O)F

InChI

InChI=1S/C22H21FN2O2S/c1-14-11-12-15(13-17(14)23)25-21(27)16-7-5-6-8-18(16)24-22(25)28-20-10-4-2-3-9-19(20)26/h5-8,11-13,20H,2-4,9-10H2,1H3