2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-3-(3-chloranyl-4-fluoranyl-phenyl)quinazolin-4-one

Systemtic Name: 2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-3-(3-chloranyl-4-fluoranyl-phenyl)quinazolin-4-one Openeye Name: 2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-3-(3-chloro-4-fluoro-phenyl)quinazolin-4-one CAS Name: 2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylthio]-3-(3-chloro-4-fluorophenyl)-4-quinazolinone IUPAC Name: 2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-3-(3-chloro-4-fluorophenyl)quinazolin-4-one Traditional Name: 2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylthio]-3-(3-chloro-4-fluoro-phenyl)quinazolin-4-one Formula: C21H18ClFN4O2S MolecularWeight: 444.909623

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NOC(=N1)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC(=C(C=C4)F)Cl

Isomeric SMILES

CCCCC1=NOC(=N1)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C21H18ClFN4O2S/c1-2-3-8-18-25-19(29-26-18)12-30-21-24-17-7-5-4-6-14(17)20(28)27(21)13-9-10-16(23)15(22)11-13/h4-7,9-11H,2-3,8,12H2,1H3