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

Systemtic Name: N-[3-cyano-1-(3-fluorophenyl)-4,5-dimethyl-pyrrol-2-yl]-2-(3-cyanopyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-[3-cyano-1-(3-fluorophenyl)-4,5-dimethyl-pyrrol-2-yl]-2-[(3-cyano-2-pyridyl)sulfanyl]acetamide CAS Name: N-[3-cyano-1-(3-fluorophenyl)-4,5-dimethyl-2-pyrrolyl]-2-[(3-cyano-2-pyridinyl)thio]acetamide IUPAC Name: N-[3-cyano-1-(3-fluorophenyl)-4,5-dimethylpyrrol-2-yl]-2-(3-cyanopyridin-2-yl)sulfanylacetamide Traditional Name: N-[3-cyano-1-(3-fluorophenyl)-4,5-dimethyl-pyrrol-2-yl]-2-[(3-cyano-2-pyridyl)thio]acetamide Formula: C21H16FN5OS MolecularWeight: 405.448043

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16FN5OS/c1-13-14(2)27(17-7-3-6-16(22)9-17)20(18(13)11-24)26-19(28)12-29-21-15(10-23)5-4-8-25-21/h3-9H,12H2,1-2H3,(H,26,28)