3-(3-chloranyl-4-fluoranyl-phenyl)-2-(2-oxidanylideneazepan-3-yl)sulfanyl-quinazolin-4-one

Systemtic Name: 3-(3-chloranyl-4-fluoranyl-phenyl)-2-(2-oxidanylideneazepan-3-yl)sulfanyl-quinazolin-4-one Openeye Name: 3-(3-chloro-4-fluoro-phenyl)-2-(2-oxoazepan-3-yl)sulfanyl-quinazolin-4-one CAS Name: 3-(3-chloro-4-fluorophenyl)-2-[(2-oxo-3-azepanyl)thio]-4-quinazolinone IUPAC Name: 3-(3-chloro-4-fluorophenyl)-2-(2-oxoazepan-3-yl)sulfanylquinazolin-4-one Traditional Name: 3-(3-chloro-4-fluoro-phenyl)-2-[(2-ketoazepan-3-yl)thio]quinazolin-4-one Formula: C20H17ClFN3O2S MolecularWeight: 417.884283

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)SC2=NC3=CC=CC=C3C(=O)N2C4=CC(=C(C=C4)F)Cl

Isomeric SMILES

C1CCNC(=O)C(C1)SC2=NC3=CC=CC=C3C(=O)N2C4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C20H17ClFN3O2S/c21-14-11-12(8-9-15(14)22)25-19(27)13-5-1-2-6-16(13)24-20(25)28-17-7-3-4-10-23-18(17)26/h1-2,5-6,8-9,11,17H,3-4,7,10H2,(H,23,26)