2-[2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl]sulfanyl-3-[(4-fluorophenyl)methyl]quinazolin-4-one

Systemtic Name: 2-[2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl]sulfanyl-3-[(4-fluorophenyl)methyl]quinazolin-4-one Openeye Name: 2-[2-(2,5-dimethylphenyl)-2-oxo-ethyl]sulfanyl-3-[(4-fluorophenyl)methyl]quinazolin-4-one CAS Name: 2-[[2-(2,5-dimethylphenyl)-2-oxoethyl]thio]-3-[(4-fluorophenyl)methyl]-4-quinazolinone IUPAC Name: 2-[2-(2,5-dimethylphenyl)-2-oxoethyl]sulfanyl-3-[(4-fluorophenyl)methyl]quinazolin-4-one Traditional Name: 2-[[2-(2,5-dimethylphenyl)-2-keto-ethyl]thio]-3-(4-fluorobenzyl)quinazolin-4-one Formula: C25H21FN2O2S MolecularWeight: 432.509843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=C(C=C4)F

InChI

InChI=1S/C25H21FN2O2S/c1-16-7-8-17(2)21(13-16)23(29)15-31-25-27-22-6-4-3-5-20(22)24(30)28(25)14-18-9-11-19(26)12-10-18/h3-13H,14-15H2,1-2H3