2-[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-3-[(4-fluorophenyl)methyl]quinazolin-4-one

Systemtic Name: 2-[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-3-[(4-fluorophenyl)methyl]quinazolin-4-one Openeye Name: 2-[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-oxo-ethyl]sulfanyl-3-[(4-fluorophenyl)methyl]quinazolin-4-one CAS Name: 2-[[2-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-2-oxoethyl]thio]-3-[(4-fluorophenyl)methyl]-4-quinazolinone IUPAC Name: 2-[2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-oxoethyl]sulfanyl-3-[(4-fluorophenyl)methyl]quinazolin-4-one Traditional Name: 2-[[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-keto-ethyl]thio]-3-(4-fluorobenzyl)quinazolin-4-one Formula: C29H24FN3O2S MolecularWeight: 497.583163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3CC5=CC=C(C=C5)F

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3CC5=CC=C(C=C5)F

InChI

InChI=1S/C29H24FN3O2S/c1-19-16-25(20(2)33(19)23-8-4-3-5-9-23)27(34)18-36-29-31-26-11-7-6-10-24(26)28(35)32(29)17-21-12-14-22(30)15-13-21/h3-16H,17-18H2,1-2H3