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

Systemtic Name: N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethyl-pyrrol-2-yl]-2-(2-fluorophenyl)sulfanyl-ethanamide Openeye Name: N-[3-cyano-1-(2-furylmethyl)-4,5-dimethyl-pyrrol-2-yl]-2-(2-fluorophenyl)sulfanyl-acetamide CAS Name: N-[3-cyano-1-(2-furanylmethyl)-4,5-dimethyl-2-pyrrolyl]-2-[(2-fluorophenyl)thio]acetamide IUPAC Name: N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-(2-fluorophenyl)sulfanylacetamide Traditional Name: N-[3-cyano-1-(2-furfuryl)-4,5-dimethyl-pyrrol-2-yl]-2-[(2-fluorophenyl)thio]acetamide Formula: C20H18FN3O2S MolecularWeight: 383.439223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CSC2=CC=CC=C2F)CC3=CC=CO3)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CSC2=CC=CC=C2F)CC3=CC=CO3)C

InChI

InChI=1S/C20H18FN3O2S/c1-13-14(2)24(11-15-6-5-9-26-15)20(16(13)10-22)23-19(25)12-27-18-8-4-3-7-17(18)21/h3-9H,11-12H2,1-2H3,(H,23,25)