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

Systemtic Name: N-[3-cyano-4,5-dimethyl-1-(phenylmethyl)pyrrol-2-yl]-2-(phenylmethylsulfanyl)ethanamide Openeye Name: N-(1-benzyl-3-cyano-4,5-dimethyl-pyrrol-2-yl)-2-benzylsulfanyl-acetamide CAS Name: N-[3-cyano-4,5-dimethyl-1-(phenylmethyl)-2-pyrrolyl]-2-(phenylmethylthio)acetamide IUPAC Name: N-(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)-2-benzylsulfanylacetamide Traditional Name: N-(1-benzyl-3-cyano-4,5-dimethyl-pyrrol-2-yl)-2-(benzylthio)acetamide Formula: C23H23N3OS MolecularWeight: 389.51322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CSCC2=CC=CC=C2)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CSCC2=CC=CC=C2)CC3=CC=CC=C3)C

InChI

InChI=1S/C23H23N3OS/c1-17-18(2)26(14-19-9-5-3-6-10-19)23(21(17)13-24)25-22(27)16-28-15-20-11-7-4-8-12-20/h3-12H,14-16H2,1-2H3,(H,25,27)