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

Systemtic Name: 2-[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(2-fluorophenyl)quinazolin-4-one Openeye Name: 2-[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-oxo-ethyl]sulfanyl-3-(2-fluorophenyl)quinazolin-4-one CAS Name: 2-[[2-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-2-oxoethyl]thio]-3-(2-fluorophenyl)-4-quinazolinone IUPAC Name: 2-[2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-oxoethyl]sulfanyl-3-(2-fluorophenyl)quinazolin-4-one Traditional Name: 2-[[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-keto-ethyl]thio]-3-(2-fluorophenyl)quinazolin-4-one Formula: C28H22FN3O2S MolecularWeight: 483.556583

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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)N3C5=CC=CC=C5F

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5F

InChI

InChI=1S/C28H22FN3O2S/c1-18-16-22(19(2)31(18)20-10-4-3-5-11-20)26(33)17-35-28-30-24-14-8-6-12-21(24)27(34)32(28)25-15-9-7-13-23(25)29/h3-16H,17H2,1-2H3