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

Systemtic Name: 4-[[3-(3-chloranyl-4-fluoranyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[3-(3-chloro-4-fluoro-phenyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[3-(3-chloro-4-fluorophenyl)-4-oxo-2-quinazolinyl]thio]methyl]benzonitrile IUPAC Name: 4-[[3-(3-chloro-4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[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=C2C(=C1)C(=O)N(C(=N2)SCC3=CC=C(C=C3)C#N)C4=CC(=C(C=C4)F)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=CC=C(C=C3)C#N)C4=CC(=C(C=C4)F)Cl

InChI

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