2-(3-chloranyl-4-fluoranyl-phenyl)sulfanyl-N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethyl-pyrrol-2-yl]ethanamide

Systemtic Name: 2-(3-chloranyl-4-fluoranyl-phenyl)sulfanyl-N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethyl-pyrrol-2-yl]ethanamide Openeye Name: 2-(3-chloro-4-fluoro-phenyl)sulfanyl-N-[3-cyano-1-(2-furylmethyl)-4,5-dimethyl-pyrrol-2-yl]acetamide CAS Name: 2-[(3-chloro-4-fluorophenyl)thio]-N-[3-cyano-1-(2-furanylmethyl)-4,5-dimethyl-2-pyrrolyl]acetamide IUPAC Name: 2-(3-chloro-4-fluorophenyl)sulfanyl-N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]acetamide Traditional Name: 2-[(3-chloro-4-fluoro-phenyl)thio]-N-[3-cyano-1-(2-furfuryl)-4,5-dimethyl-pyrrol-2-yl]acetamide Formula: C20H17ClFN3O2S MolecularWeight: 417.884283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CSC2=CC(=C(C=C2)F)Cl)CC3=CC=CO3)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CSC2=CC(=C(C=C2)F)Cl)CC3=CC=CO3)C

InChI

InChI=1S/C20H17ClFN3O2S/c1-12-13(2)25(10-14-4-3-7-27-14)20(16(12)9-23)24-19(26)11-28-15-5-6-18(22)17(21)8-15/h3-8H,10-11H2,1-2H3,(H,24,26)