N-[3-cyano-4,5-dimethyl-1-(phenylmethyl)pyrrol-2-yl]-2-(3-cyanopyridin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[3-cyano-4,5-dimethyl-1-(phenylmethyl)pyrrol-2-yl]-2-(3-cyanopyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1-benzyl-3-cyano-4,5-dimethyl-pyrrol-2-yl)-2-[(3-cyano-2-pyridyl)sulfanyl]acetamide CAS Name: N-[3-cyano-4,5-dimethyl-1-(phenylmethyl)-2-pyrrolyl]-2-[(3-cyano-2-pyridinyl)thio]acetamide IUPAC Name: N-(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)-2-(3-cyanopyridin-2-yl)sulfanylacetamide Traditional Name: N-(1-benzyl-3-cyano-4,5-dimethyl-pyrrol-2-yl)-2-[(3-cyano-2-pyridyl)thio]acetamide Formula: C22H19N5OS MolecularWeight: 401.48416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CSC2=C(C=CC=N2)C#N)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CSC2=C(C=CC=N2)C#N)CC3=CC=CC=C3)C

InChI

InChI=1S/C22H19N5OS/c1-15-16(2)27(13-17-7-4-3-5-8-17)21(19(15)12-24)26-20(28)14-29-22-18(11-23)9-6-10-25-22/h3-10H,13-14H2,1-2H3,(H,26,28)