3-[2,5-bis(trifluoromethyl)phenyl]-2-(2-oxidanylidenepropylsulfanyl)quinazolin-4-one

Systemtic Name: 3-[2,5-bis(trifluoromethyl)phenyl]-2-(2-oxidanylidenepropylsulfanyl)quinazolin-4-one Openeye Name: 2-acetonylsulfanyl-3-[2,5-bis(trifluoromethyl)phenyl]quinazolin-4-one CAS Name: 3-[2,5-bis(trifluoromethyl)phenyl]-2-(2-oxopropylthio)-4-quinazolinone IUPAC Name: 3-[2,5-bis(trifluoromethyl)phenyl]-2-(2-oxopropylsulfanyl)quinazolin-4-one Traditional Name: 2-(acetonylthio)-3-[2,5-bis(trifluoromethyl)phenyl]quinazolin-4-one Formula: C19H12F6N2O2S MolecularWeight: 446.366199

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=C(C=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=C(C=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C19H12F6N2O2S/c1-10(28)9-30-17-26-14-5-3-2-4-12(14)16(29)27(17)15-8-11(18(20,21)22)6-7-13(15)19(23,24)25/h2-8H,9H2,1H3