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

Systemtic Name: N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethyl-pyrrol-2-yl]-2-(2,4-dimethylphenyl)sulfanyl-ethanamide Openeye Name: N-[3-cyano-1-(2-furylmethyl)-4,5-dimethyl-pyrrol-2-yl]-2-(2,4-dimethylphenyl)sulfanyl-acetamide CAS Name: N-[3-cyano-1-(2-furanylmethyl)-4,5-dimethyl-2-pyrrolyl]-2-[(2,4-dimethylphenyl)thio]acetamide IUPAC Name: N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-(2,4-dimethylphenyl)sulfanylacetamide Traditional Name: N-[3-cyano-1-(2-furfuryl)-4,5-dimethyl-pyrrol-2-yl]-2-[(2,4-dimethylphenyl)thio]acetamide Formula: C22H23N3O2S MolecularWeight: 393.50192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SCC(=O)NC2=C(C(=C(N2CC3=CC=CO3)C)C)C#N)C

Isomeric SMILES

CC1=CC(=C(C=C1)SCC(=O)NC2=C(C(=C(N2CC3=CC=CO3)C)C)C#N)C

InChI

InChI=1S/C22H23N3O2S/c1-14-7-8-20(15(2)10-14)28-13-21(26)24-22-19(11-23)16(3)17(4)25(22)12-18-6-5-9-27-18/h5-10H,12-13H2,1-4H3,(H,24,26)