2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-3-cyclohexyl-quinazolin-4-one

Systemtic Name: 2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-3-cyclohexyl-quinazolin-4-one Openeye Name: 2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-3-cyclohexyl-quinazolin-4-one CAS Name: 2-[(2-chloro-6-fluorophenyl)methylthio]-3-cyclohexyl-4-quinazolinone IUPAC Name: 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-cyclohexylquinazolin-4-one Traditional Name: 2-[(2-chloro-6-fluoro-benzyl)thio]-3-cyclohexyl-quinazolin-4-one Formula: C21H20ClFN2OS MolecularWeight: 402.912703

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C3=CC=CC=C3N=C2SCC4=C(C=CC=C4Cl)F

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3=CC=CC=C3N=C2SCC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C21H20ClFN2OS/c22-17-10-6-11-18(23)16(17)13-27-21-24-19-12-5-4-9-15(19)20(26)25(21)14-7-2-1-3-8-14/h4-6,9-12,14H,1-3,7-8,13H2