(8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 4-(trifluoromethylsulfanyl)benzoate

Systemtic Name: (8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 4-(trifluoromethylsulfanyl)benzoate Openeye Name: (8-methyl-4-oxo-1H-quinazolin-2-yl)methyl 4-(trifluoromethylsulfanyl)benzoate CAS Name: 4-(trifluoromethylthio)benzoic acid (8-methyl-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (8-methyl-4-oxo-1H-quinazolin-2-yl)methyl 4-(trifluoromethylsulfanyl)benzoate Traditional Name: 4-(trifluoromethylthio)benzoic acid (4-keto-8-methyl-1H-quinazolin-2-yl)methyl ester Formula: C18H13F3N2O3S MolecularWeight: 394.36763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=NC2=O)COC(=O)C3=CC=C(C=C3)SC(F)(F)F

Isomeric SMILES

CC1=CC=CC2=C1NC(=NC2=O)COC(=O)C3=CC=C(C=C3)SC(F)(F)F

InChI

InChI=1S/C18H13F3N2O3S/c1-10-3-2-4-13-15(10)22-14(23-16(13)24)9-26-17(25)11-5-7-12(8-6-11)27-18(19,20)21/h2-8H,9H2,1H3,(H,22,23,24)