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

Systemtic Name: N-[3-cyano-4,5-dimethyl-1-(phenylmethyl)pyrrol-2-yl]-2-(3-methylquinoxalin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1-benzyl-3-cyano-4,5-dimethyl-pyrrol-2-yl)-2-(3-methylquinoxalin-2-yl)sulfanyl-acetamide CAS Name: N-[3-cyano-4,5-dimethyl-1-(phenylmethyl)-2-pyrrolyl]-2-[(3-methyl-2-quinoxalinyl)thio]acetamide IUPAC Name: N-(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)-2-(3-methylquinoxalin-2-yl)sulfanylacetamide Traditional Name: N-(1-benzyl-3-cyano-4,5-dimethyl-pyrrol-2-yl)-2-[(3-methylquinoxalin-2-yl)thio]acetamide Formula: C25H23N5OS MolecularWeight: 441.54802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NC3=CC=CC=C3N=C2C)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NC3=CC=CC=C3N=C2C)CC4=CC=CC=C4)C

InChI

InChI=1S/C25H23N5OS/c1-16-18(3)30(14-19-9-5-4-6-10-19)24(20(16)13-26)29-23(31)15-32-25-17(2)27-21-11-7-8-12-22(21)28-25/h4-12H,14-15H2,1-3H3,(H,29,31)