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

Systemtic Name: 3-[2,5-bis(trifluoromethyl)phenyl]-2-(2-methylpropylsulfanyl)quinazolin-4-one Openeye Name: 3-[2,5-bis(trifluoromethyl)phenyl]-2-isobutylsulfanyl-quinazolin-4-one CAS Name: 3-[2,5-bis(trifluoromethyl)phenyl]-2-(2-methylpropylthio)-4-quinazolinone IUPAC Name: 3-[2,5-bis(trifluoromethyl)phenyl]-2-(2-methylpropylsulfanyl)quinazolin-4-one Traditional Name: 3-[2,5-bis(trifluoromethyl)phenyl]-2-(isobutylthio)quinazolin-4-one Formula: C20H16F6N2OS MolecularWeight: 446.409259

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16F6N2OS/c1-11(2)10-30-18-27-15-6-4-3-5-13(15)17(29)28(18)16-9-12(19(21,22)23)7-8-14(16)20(24,25)26/h3-9,11H,10H2,1-2H3