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

Systemtic Name: 2-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]-3-[2-(cyclohexen-1-yl)ethyl]quinazolin-4-one Openeye Name: 2-[(2-chloro-4-fluoro-phenyl)methylsulfanyl]-3-[2-(cyclohexen-1-yl)ethyl]quinazolin-4-one CAS Name: 2-[(2-chloro-4-fluorophenyl)methylthio]-3-[2-(1-cyclohexenyl)ethyl]-4-quinazolinone IUPAC Name: 2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-3-[2-(cyclohexen-1-yl)ethyl]quinazolin-4-one Traditional Name: 2-[(2-chloro-4-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=C(C=C4)F)Cl

Isomeric SMILES

C1CCC(=CC1)CCN2C(=O)C3=CC=CC=C3N=C2SCC4=C(C=C(C=C4)F)Cl

InChI

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