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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(C(=C(N3C4=CC=C(C=C4)F)C)C)C#N

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(C(=C(N3C4=CC=C(C=C4)F)C)C)C#N

InChI

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