4-[3-[2,4-bis(fluoranyl)phenyl]-6-chloranyl-4-oxidanylidene-quinazolin-2-yl]sulfanylbutanenitrile

Systemtic Name: 4-[3-[2,4-bis(fluoranyl)phenyl]-6-chloranyl-4-oxidanylidene-quinazolin-2-yl]sulfanylbutanenitrile Openeye Name: 4-[6-chloro-3-(2,4-difluorophenyl)-4-oxo-quinazolin-2-yl]sulfanylbutanenitrile CAS Name: 4-[[6-chloro-3-(2,4-difluorophenyl)-4-oxo-2-quinazolinyl]thio]butanenitrile IUPAC Name: 4-[6-chloro-3-(2,4-difluorophenyl)-4-oxoquinazolin-2-yl]sulfanylbutanenitrile Traditional Name: 4-[[6-chloro-3-(2,4-difluorophenyl)-4-keto-quinazolin-2-yl]thio]butyronitrile Formula: C18H12ClF2N3OS MolecularWeight: 391.822186

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1F)F)N2C(=O)C3=C(C=CC(=C3)Cl)N=C2SCCCC#N

Isomeric SMILES

C1=CC(=C(C=C1F)F)N2C(=O)C3=C(C=CC(=C3)Cl)N=C2SCCCC#N

InChI

InChI=1S/C18H12ClF2N3OS/c19-11-3-5-15-13(9-11)17(25)24(16-6-4-12(20)10-14(16)21)18(23-15)26-8-2-1-7-22/h3-6,9-10H,1-2,8H2