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

Systemtic Name: 4-[3-(3-chloranyl-4-fluoranyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylbutanenitrile Openeye Name: 4-[3-(3-chloro-4-fluoro-phenyl)-4-oxo-quinazolin-2-yl]sulfanylbutanenitrile CAS Name: 4-[[3-(3-chloro-4-fluorophenyl)-4-oxo-2-quinazolinyl]thio]butanenitrile IUPAC Name: 4-[3-(3-chloro-4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylbutanenitrile Traditional Name: 4-[[3-(3-chloro-4-fluoro-phenyl)-4-keto-quinazolin-2-yl]thio]butyronitrile Formula: C18H13ClFN3OS MolecularWeight: 373.831723

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCCCC#N)C3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCCCC#N)C3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C18H13ClFN3OS/c19-14-11-12(7-8-15(14)20)23-17(24)13-5-1-2-6-16(13)22-18(23)25-10-4-3-9-21/h1-2,5-8,11H,3-4,10H2