methyl 2-[[1-[bis(fluoranyl)methyl]benzimidazol-2-yl]methylsulfanyl]-4-oxidanylidene-3-phenyl-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[[1-[bis(fluoranyl)methyl]benzimidazol-2-yl]methylsulfanyl]-4-oxidanylidene-3-phenyl-quinazoline-7-carboxylate Openeye Name: methyl 2-[[1-(difluoromethyl)benzimidazol-2-yl]methylsulfanyl]-4-oxo-3-phenyl-quinazoline-7-carboxylate CAS Name: 2-[[1-(difluoromethyl)-2-benzimidazolyl]methylthio]-4-oxo-3-phenyl-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[1-(difluoromethyl)benzimidazol-2-yl]methylsulfanyl]-4-oxo-3-phenylquinazoline-7-carboxylate Traditional Name: 2-[[1-(difluoromethyl)benzimidazol-2-yl]methylthio]-4-keto-3-phenyl-quinazoline-7-carboxylic acid methyl ester Formula: C25H18F2N4O3S MolecularWeight: 492.497226

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=NC4=CC=CC=C4N3C(F)F)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=NC4=CC=CC=C4N3C(F)F)C5=CC=CC=C5

InChI

InChI=1S/C25H18F2N4O3S/c1-34-23(33)15-11-12-17-19(13-15)29-25(30(22(17)32)16-7-3-2-4-8-16)35-14-21-28-18-9-5-6-10-20(18)31(21)24(26)27/h2-13,24H,14H2,1H3