4-[[3-[2-chloranyl-5-(trifluoromethyl)phenyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[[3-[2-chloranyl-5-(trifluoromethyl)phenyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[3-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxo-quinazolin-2-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[3-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxo-2-quinazolinyl]thio]methyl]benzonitrile IUPAC Name: 4-[[3-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxoquinazolin-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[3-[2-chloro-5-(trifluoromethyl)phenyl]-4-keto-quinazolin-2-yl]thio]methyl]benzonitrile Formula: C23H13ClF3N3OS MolecularWeight: 471.88203

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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=C(C=CC(=C4)C(F)(F)F)Cl

Isomeric SMILES

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

InChI

InChI=1S/C23H13ClF3N3OS/c24-18-10-9-16(23(25,26)27)11-20(18)30-21(31)17-3-1-2-4-19(17)29-22(30)32-13-15-7-5-14(12-28)6-8-15/h1-11H,13H2