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

Systemtic Name: 2-[[3-(3-chloranyl-4-fluoranyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[3-(3-chloro-4-fluoro-phenyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[3-(3-chloro-4-fluorophenyl)-4-oxo-2-quinazolinyl]thio]methyl]benzonitrile IUPAC Name: 2-[[3-(3-chloro-4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[[3-(3-chloro-4-fluoro-phenyl)-4-keto-quinazolin-2-yl]thio]methyl]benzonitrile Formula: C22H13ClFN3OS MolecularWeight: 421.874523

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC(=C(C=C4)F)Cl)C#N

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC(=C(C=C4)F)Cl)C#N

InChI

InChI=1S/C22H13ClFN3OS/c23-18-11-16(9-10-19(18)24)27-21(28)17-7-3-4-8-20(17)26-22(27)29-13-15-6-2-1-5-14(15)12-25/h1-11H,13H2