3-[2,5-bis(trifluoromethyl)phenyl]-2-(4-oxidanylidene-4-phenyl-butyl)sulfanyl-quinazolin-4-one

Systemtic Name: 3-[2,5-bis(trifluoromethyl)phenyl]-2-(4-oxidanylidene-4-phenyl-butyl)sulfanyl-quinazolin-4-one Openeye Name: 3-[2,5-bis(trifluoromethyl)phenyl]-2-(4-oxo-4-phenyl-butyl)sulfanyl-quinazolin-4-one CAS Name: 3-[2,5-bis(trifluoromethyl)phenyl]-2-[(4-oxo-4-phenylbutyl)thio]-4-quinazolinone IUPAC Name: 3-[2,5-bis(trifluoromethyl)phenyl]-2-(4-oxo-4-phenylbutyl)sulfanylquinazolin-4-one Traditional Name: 3-[2,5-bis(trifluoromethyl)phenyl]-2-[(4-keto-4-phenyl-butyl)thio]quinazolin-4-one Formula: C26H18F6N2O2S MolecularWeight: 536.488739

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CCCSC2=NC3=CC=CC=C3C(=O)N2C4=C(C=CC(=C4)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CCCSC2=NC3=CC=CC=C3C(=O)N2C4=C(C=CC(=C4)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C26H18F6N2O2S/c27-25(28,29)17-12-13-19(26(30,31)32)21(15-17)34-23(36)18-9-4-5-10-20(18)33-24(34)37-14-6-11-22(35)16-7-2-1-3-8-16/h1-5,7-10,12-13,15H,6,11,14H2