2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-3-[2-(cyclohexen-1-yl)ethyl]quinazolin-4-one

Systemtic Name: 2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-3-[2-(cyclohexen-1-yl)ethyl]quinazolin-4-one Openeye Name: 2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-3-[2-(cyclohexen-1-yl)ethyl]quinazolin-4-one CAS Name: 2-[(2-chloro-6-fluorophenyl)methylthio]-3-[2-(1-cyclohexenyl)ethyl]-4-quinazolinone IUPAC Name: 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-[2-(cyclohexen-1-yl)ethyl]quinazolin-4-one Traditional Name: 2-[(2-chloro-6-fluoro-benzyl)thio]-3-[2-(cyclohexen-1-yl)ethyl]quinazolin-4-one Formula: C23H22ClFN2OS MolecularWeight: 428.949983

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCN2C(=O)C3=CC=CC=C3N=C2SCC4=C(C=CC=C4Cl)F

Isomeric SMILES

C1CCC(=CC1)CCN2C(=O)C3=CC=CC=C3N=C2SCC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C23H22ClFN2OS/c24-19-10-6-11-20(25)18(19)15-29-23-26-21-12-5-4-9-17(21)22(28)27(23)14-13-16-7-2-1-3-8-16/h4-7,9-12H,1-3,8,13-15H2