N-(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)-2-pyridin-2-ylsulfanyl-ethanamide

Systemtic Name: N-(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)-2-pyridin-2-ylsulfanyl-ethanamide Openeye Name: N-(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)-2-(2-pyridylsulfanyl)acetamide CAS Name: N-(3-cyano-4,5-dimethyl-1-phenyl-2-pyrrolyl)-2-(2-pyridinylthio)acetamide IUPAC Name: N-(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)-2-pyridin-2-ylsulfanylacetamide Traditional Name: N-(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)-2-(2-pyridylthio)acetamide Formula: C20H18N4OS MolecularWeight: 362.44812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CSC2=CC=CC=N2)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CSC2=CC=CC=N2)C3=CC=CC=C3)C

InChI

InChI=1S/C20H18N4OS/c1-14-15(2)24(16-8-4-3-5-9-16)20(17(14)12-21)23-18(25)13-26-19-10-6-7-11-22-19/h3-11H,13H2,1-2H3,(H,23,25)