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

Systemtic Name: N-[3-cyano-1-(3-fluorophenyl)-4,5-dimethyl-pyrrol-2-yl]-2-methylsulfanyl-ethanamide Openeye Name: N-[3-cyano-1-(3-fluorophenyl)-4,5-dimethyl-pyrrol-2-yl]-2-methylsulfanyl-acetamide CAS Name: N-[3-cyano-1-(3-fluorophenyl)-4,5-dimethyl-2-pyrrolyl]-2-(methylthio)acetamide IUPAC Name: N-[3-cyano-1-(3-fluorophenyl)-4,5-dimethylpyrrol-2-yl]-2-methylsulfanylacetamide Traditional Name: N-[3-cyano-1-(3-fluorophenyl)-4,5-dimethyl-pyrrol-2-yl]-2-(methylthio)acetamide Formula: C16H16FN3OS MolecularWeight: 317.381143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CSC)C2=CC(=CC=C2)F)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CSC)C2=CC(=CC=C2)F)C

InChI

InChI=1S/C16H16FN3OS/c1-10-11(2)20(13-6-4-5-12(17)7-13)16(14(10)8-18)19-15(21)9-22-3/h4-7H,9H2,1-3H3,(H,19,21)