N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethyl-pyrrol-2-yl]-3-pyridin-2-ylsulfanyl-propanamide

Systemtic Name: N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethyl-pyrrol-2-yl]-3-pyridin-2-ylsulfanyl-propanamide Openeye Name: N-[3-cyano-1-(2-furylmethyl)-4,5-dimethyl-pyrrol-2-yl]-3-(2-pyridylsulfanyl)propanamide CAS Name: N-[3-cyano-1-(2-furanylmethyl)-4,5-dimethyl-2-pyrrolyl]-3-(2-pyridinylthio)propanamide IUPAC Name: N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-3-pyridin-2-ylsulfanylpropanamide Traditional Name: N-[3-cyano-1-(2-furfuryl)-4,5-dimethyl-pyrrol-2-yl]-3-(2-pyridylthio)propionamide Formula: C20H20N4O2S MolecularWeight: 380.4634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CCSC2=CC=CC=N2)CC3=CC=CO3)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CCSC2=CC=CC=N2)CC3=CC=CO3)C

InChI

InChI=1S/C20H20N4O2S/c1-14-15(2)24(13-16-6-5-10-26-16)20(17(14)12-21)23-18(25)8-11-27-19-7-3-4-9-22-19/h3-7,9-10H,8,11,13H2,1-2H3,(H,23,25)