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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NC=CN2C3CC3)C4=CC(=CC=C4)F)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NC=CN2C3CC3)C4=CC(=CC=C4)F)C

InChI

InChI=1S/C21H20FN5OS/c1-13-14(2)27(17-5-3-4-15(22)10-17)20(18(13)11-23)25-19(28)12-29-21-24-8-9-26(21)16-6-7-16/h3-5,8-10,16H,6-7,12H2,1-2H3,(H,25,28)