N-[3-cyano-1-(3-fluorophenyl)-4,5-dimethyl-pyrrol-2-yl]-2-(4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[3-cyano-1-(3-fluorophenyl)-4,5-dimethyl-pyrrol-2-yl]-2-(4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-[3-cyano-1-(3-fluorophenyl)-4,5-dimethyl-pyrrol-2-yl]-2-(3-isopropyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-[3-cyano-1-(3-fluorophenyl)-4,5-dimethyl-2-pyrrolyl]-2-[(4-oxo-3-propan-2-yl-2-quinazolinyl)thio]acetamide IUPAC Name: N-[3-cyano-1-(3-fluorophenyl)-4,5-dimethylpyrrol-2-yl]-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetamide Traditional Name: N-[3-cyano-1-(3-fluorophenyl)-4,5-dimethyl-pyrrol-2-yl]-2-[(3-isopropyl-4-keto-quinazolin-2-yl)thio]acetamide Formula: C26H24FN5O2S MolecularWeight: 489.564463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C(C)C)C4=CC(=CC=C4)F)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C(C)C)C4=CC(=CC=C4)F)C

InChI

InChI=1S/C26H24FN5O2S/c1-15(2)31-25(34)20-10-5-6-11-22(20)29-26(31)35-14-23(33)30-24-21(13-28)16(3)17(4)32(24)19-9-7-8-18(27)12-19/h5-12,15H,14H2,1-4H3,(H,30,33)