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

Systemtic Name: N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethyl-pyrrol-2-yl]-2-(4-methoxyphenyl)sulfanyl-ethanamide Openeye Name: N-[3-cyano-1-(2-furylmethyl)-4,5-dimethyl-pyrrol-2-yl]-2-(4-methoxyphenyl)sulfanyl-acetamide CAS Name: N-[3-cyano-1-(2-furanylmethyl)-4,5-dimethyl-2-pyrrolyl]-2-[(4-methoxyphenyl)thio]acetamide IUPAC Name: N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-(4-methoxyphenyl)sulfanylacetamide Traditional Name: N-[3-cyano-1-(2-furfuryl)-4,5-dimethyl-pyrrol-2-yl]-2-[(4-methoxyphenyl)thio]acetamide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O3S/c1-14-15(2)24(12-17-5-4-10-27-17)21(19(14)11-22)23-20(25)13-28-18-8-6-16(26-3)7-9-18/h4-10H,12-13H2,1-3H3,(H,23,25)