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

Systemtic Name: N-[3-cyano-1-(4-fluorophenyl)-4,5-dimethyl-pyrrol-2-yl]-2-(3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-[3-cyano-1-(4-fluorophenyl)-4,5-dimethyl-pyrrol-2-yl]-2-(3-ethyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-[3-cyano-1-(4-fluorophenyl)-4,5-dimethyl-2-pyrrolyl]-2-[(3-ethyl-4-oxo-2-quinazolinyl)thio]acetamide IUPAC Name: N-[3-cyano-1-(4-fluorophenyl)-4,5-dimethylpyrrol-2-yl]-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetamide Traditional Name: N-[3-cyano-1-(4-fluorophenyl)-4,5-dimethyl-pyrrol-2-yl]-2-[(3-ethyl-4-keto-quinazolin-2-yl)thio]acetamide Formula: C25H22FN5O2S MolecularWeight: 475.537883

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(C(=C(N3C4=CC=C(C=C4)F)C)C)C#N

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(C(=C(N3C4=CC=C(C=C4)F)C)C)C#N

InChI

InChI=1S/C25H22FN5O2S/c1-4-30-24(33)19-7-5-6-8-21(19)28-25(30)34-14-22(32)29-23-20(13-27)15(2)16(3)31(23)18-11-9-17(26)10-12-18/h5-12H,4,14H2,1-3H3,(H,29,32)