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

Systemtic Name: 2-[2-[[4-chloranyl-3-(trifluoromethyl)phenyl]sulfanylmethyl]-4-oxidanylidene-quinazolin-3-yl]ethanenitrile Openeye Name: 2-[2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfanylmethyl]-4-oxo-quinazolin-3-yl]acetonitrile CAS Name: 2-[2-[[[4-chloro-3-(trifluoromethyl)phenyl]thio]methyl]-4-oxo-3-quinazolinyl]acetonitrile IUPAC Name: 2-[2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfanylmethyl]-4-oxoquinazolin-3-yl]acetonitrile Traditional Name: 2-[2-[[[4-chloro-3-(trifluoromethyl)phenyl]thio]methyl]-4-keto-quinazolin-3-yl]acetonitrile Formula: C18H11ClF3N3OS MolecularWeight: 409.81265

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)CSC3=CC(=C(C=C3)Cl)C(F)(F)F)CC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)CSC3=CC(=C(C=C3)Cl)C(F)(F)F)CC#N

InChI

InChI=1S/C18H11ClF3N3OS/c19-14-6-5-11(9-13(14)18(20,21)22)27-10-16-24-15-4-2-1-3-12(15)17(26)25(16)8-7-23/h1-6,9H,8,10H2