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

Systemtic Name: N-[3-cyano-1-(4-fluorophenyl)-4,5-dimethyl-pyrrol-2-yl]-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: 2-(3-allyl-4-oxo-quinazolin-2-yl)sulfanyl-N-[3-cyano-1-(4-fluorophenyl)-4,5-dimethyl-pyrrol-2-yl]acetamide CAS Name: N-[3-cyano-1-(4-fluorophenyl)-4,5-dimethyl-2-pyrrolyl]-2-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]acetamide IUPAC Name: N-[3-cyano-1-(4-fluorophenyl)-4,5-dimethylpyrrol-2-yl]-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide Traditional Name: 2-[(3-allyl-4-keto-quinazolin-2-yl)thio]-N-[3-cyano-1-(4-fluorophenyl)-4,5-dimethyl-pyrrol-2-yl]acetamide Formula: C26H22FN5O2S MolecularWeight: 487.548583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC=C)C4=CC=C(C=C4)F)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC=C)C4=CC=C(C=C4)F)C

InChI

InChI=1S/C26H22FN5O2S/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/h4-12H,1,13,15H2,2-3H3,(H,30,33)