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

Systemtic Name: 2-[(2S)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-(3-fluoranyl-4-methyl-phenyl)quinazolin-4-one Openeye Name: 2-[(1S)-2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-methyl-2-oxo-ethyl]sulfanyl-3-(3-fluoro-4-methyl-phenyl)quinazolin-4-one CAS Name: 2-[[(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]thio]-3-(3-fluoro-4-methylphenyl)-4-quinazolinone IUPAC Name: 2-[(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]sulfanyl-3-(3-fluoro-4-methylphenyl)quinazolin-4-one Traditional Name: 2-[[(1S)-2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-1-methyl-ethyl]thio]-3-(3-fluoro-4-methyl-phenyl)quinazolin-4-one Formula: C26H24FN3O3S MolecularWeight: 477.550463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)C4=C(C(=C(N4)C)C(=O)C)C)F

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2S[C@@H](C)C(=O)C4=C(C(=C(N4)C)C(=O)C)C)F

InChI

InChI=1S/C26H24FN3O3S/c1-13-10-11-18(12-20(13)27)30-25(33)19-8-6-7-9-21(19)29-26(30)34-17(5)24(32)23-14(2)22(16(4)31)15(3)28-23/h6-12,17,28H,1-5H3/t17-/m0/s1