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

Systemtic Name: 2-[3-[2-chloranyl-5-(trifluoromethyl)phenyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanenitrile Openeye Name: 2-[3-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxo-quinazolin-2-yl]sulfanylpropanenitrile CAS Name: 2-[[3-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxo-2-quinazolinyl]thio]propanenitrile IUPAC Name: 2-[3-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxoquinazolin-2-yl]sulfanylpropanenitrile Traditional Name: 2-[[3-[2-chloro-5-(trifluoromethyl)phenyl]-4-keto-quinazolin-2-yl]thio]propionitrile Formula: C18H11ClF3N3OS MolecularWeight: 409.81265

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)SC1=NC2=CC=CC=C2C(=O)N1C3=C(C=CC(=C3)C(F)(F)F)Cl

Isomeric SMILES

CC(C#N)SC1=NC2=CC=CC=C2C(=O)N1C3=C(C=CC(=C3)C(F)(F)F)Cl

InChI

InChI=1S/C18H11ClF3N3OS/c1-10(9-23)27-17-24-14-5-3-2-4-12(14)16(26)25(17)15-8-11(18(20,21)22)6-7-13(15)19/h2-8,10H,1H3