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

Systemtic Name: 2-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(3-fluoranyl-4-methyl-phenyl)quinazolin-4-one Openeye Name: 2-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxo-ethyl]sulfanyl-3-(3-fluoro-4-methyl-phenyl)quinazolin-4-one CAS Name: 2-[[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]thio]-3-(3-fluoro-4-methylphenyl)-4-quinazolinone IUPAC Name: 2-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]sulfanyl-3-(3-fluoro-4-methylphenyl)quinazolin-4-one Traditional Name: 2-[[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-keto-ethyl]thio]-3-(3-fluoro-4-methyl-phenyl)quinazolin-4-one Formula: C23H20FN3O2S MolecularWeight: 421.487203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=C(NC(=C4)C)C)F

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=C(NC(=C4)C)C)F

InChI

InChI=1S/C23H20FN3O2S/c1-13-8-9-16(11-19(13)24)27-22(29)17-6-4-5-7-20(17)26-23(27)30-12-21(28)18-10-14(2)25-15(18)3/h4-11,25H,12H2,1-3H3