N-[3-cyano-1-(4-fluorophenyl)-4,5-dimethyl-pyrrol-2-yl]-2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-[3-cyano-1-(4-fluorophenyl)-4,5-dimethyl-pyrrol-2-yl]-2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-[3-cyano-1-(4-fluorophenyl)-4,5-dimethyl-pyrrol-2-yl]-2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-[3-cyano-1-(4-fluorophenyl)-4,5-dimethyl-2-pyrrolyl]-2-[(2,6-dimethyl-4-pyrimidinyl)thio]acetamide IUPAC Name: N-[3-cyano-1-(4-fluorophenyl)-4,5-dimethylpyrrol-2-yl]-2-(2,6-dimethylpyrimidin-4-yl)sulfanylacetamide Traditional Name: N-[3-cyano-1-(4-fluorophenyl)-4,5-dimethyl-pyrrol-2-yl]-2-[(2,6-dimethylpyrimidin-4-yl)thio]acetamide Formula: C21H20FN5OS MolecularWeight: 409.479803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C)SCC(=O)NC2=C(C(=C(N2C3=CC=C(C=C3)F)C)C)C#N

Isomeric SMILES

CC1=CC(=NC(=N1)C)SCC(=O)NC2=C(C(=C(N2C3=CC=C(C=C3)F)C)C)C#N

InChI

InChI=1S/C21H20FN5OS/c1-12-9-20(25-15(4)24-12)29-11-19(28)26-21-18(10-23)13(2)14(3)27(21)17-7-5-16(22)6-8-17/h5-9H,11H2,1-4H3,(H,26,28)