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

Systemtic Name: N-[3-cyano-1-(4-methoxyphenyl)-4,5-dimethyl-pyrrol-2-yl]-2-(2-fluorophenyl)sulfanyl-ethanamide Openeye Name: N-[3-cyano-1-(4-methoxyphenyl)-4,5-dimethyl-pyrrol-2-yl]-2-(2-fluorophenyl)sulfanyl-acetamide CAS Name: N-[3-cyano-1-(4-methoxyphenyl)-4,5-dimethyl-2-pyrrolyl]-2-[(2-fluorophenyl)thio]acetamide IUPAC Name: N-[3-cyano-1-(4-methoxyphenyl)-4,5-dimethylpyrrol-2-yl]-2-(2-fluorophenyl)sulfanylacetamide Traditional Name: N-[3-cyano-1-(4-methoxyphenyl)-4,5-dimethyl-pyrrol-2-yl]-2-[(2-fluorophenyl)thio]acetamide Formula: C22H20FN3O2S MolecularWeight: 409.476503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CSC2=CC=CC=C2F)C3=CC=C(C=C3)OC)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CSC2=CC=CC=C2F)C3=CC=C(C=C3)OC)C

InChI

InChI=1S/C22H20FN3O2S/c1-14-15(2)26(16-8-10-17(28-3)11-9-16)22(18(14)12-24)25-21(27)13-29-20-7-5-4-6-19(20)23/h4-11H,13H2,1-3H3,(H,25,27)