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

Systemtic Name: 3-[2,5-bis(trifluoromethyl)phenyl]-2-(2-methoxyethylsulfanyl)quinazolin-4-one Openeye Name: 3-[2,5-bis(trifluoromethyl)phenyl]-2-(2-methoxyethylsulfanyl)quinazolin-4-one CAS Name: 3-[2,5-bis(trifluoromethyl)phenyl]-2-(2-methoxyethylthio)-4-quinazolinone IUPAC Name: 3-[2,5-bis(trifluoromethyl)phenyl]-2-(2-methoxyethylsulfanyl)quinazolin-4-one Traditional Name: 3-[2,5-bis(trifluoromethyl)phenyl]-2-(2-methoxyethylthio)quinazolin-4-one Formula: C19H14F6N2O2S MolecularWeight: 448.382079

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Descriptors Computed from Structure

Canonical SMILES:

COCCSC1=NC2=CC=CC=C2C(=O)N1C3=C(C=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

COCCSC1=NC2=CC=CC=C2C(=O)N1C3=C(C=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C19H14F6N2O2S/c1-29-8-9-30-17-26-14-5-3-2-4-12(14)16(28)27(17)15-10-11(18(20,21)22)6-7-13(15)19(23,24)25/h2-7,10H,8-9H2,1H3