2-[(7-methyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one

Systemtic Name: 2-[(7-methyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one Openeye Name: 2-[(7-methyl-2-oxo-chromen-4-yl)methylsulfanyl]-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one CAS Name: 2-[(7-methyl-2-oxo-1-benzopyran-4-yl)methylthio]-3-[3-(trifluoromethyl)phenyl]-4-quinazolinone IUPAC Name: 2-[(7-methyl-2-oxochromen-4-yl)methylsulfanyl]-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one Traditional Name: 2-[(2-keto-7-methyl-chromen-4-yl)methylthio]-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one Formula: C26H17F3N2O3S MolecularWeight: 494.48499

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC(=C5)C(F)(F)F

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC(=C5)C(F)(F)F

InChI

InChI=1S/C26H17F3N2O3S/c1-15-9-10-19-16(12-23(32)34-22(19)11-15)14-35-25-30-21-8-3-2-7-20(21)24(33)31(25)18-6-4-5-17(13-18)26(27,28)29/h2-13H,14H2,1H3