N-[3-cyano-1-[(4-fluorophenyl)methyl]-4,5-dimethyl-pyrrol-2-yl]-2-pyridin-2-ylsulfanyl-ethanamide

Systemtic Name: N-[3-cyano-1-[(4-fluorophenyl)methyl]-4,5-dimethyl-pyrrol-2-yl]-2-pyridin-2-ylsulfanyl-ethanamide Openeye Name: N-[3-cyano-1-[(4-fluorophenyl)methyl]-4,5-dimethyl-pyrrol-2-yl]-2-(2-pyridylsulfanyl)acetamide CAS Name: N-[3-cyano-1-[(4-fluorophenyl)methyl]-4,5-dimethyl-2-pyrrolyl]-2-(2-pyridinylthio)acetamide IUPAC Name: N-[3-cyano-1-[(4-fluorophenyl)methyl]-4,5-dimethylpyrrol-2-yl]-2-pyridin-2-ylsulfanylacetamide Traditional Name: N-[3-cyano-1-(4-fluorobenzyl)-4,5-dimethyl-pyrrol-2-yl]-2-(2-pyridylthio)acetamide Formula: C21H19FN4OS MolecularWeight: 394.465163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CSC2=CC=CC=N2)CC3=CC=C(C=C3)F)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CSC2=CC=CC=N2)CC3=CC=C(C=C3)F)C

InChI

InChI=1S/C21H19FN4OS/c1-14-15(2)26(12-16-6-8-17(22)9-7-16)21(18(14)11-23)25-19(27)13-28-20-5-3-4-10-24-20/h3-10H,12-13H2,1-2H3,(H,25,27)