N-[3-cyano-4-methyl-5-(2-methylsulfanylethyl)-1H-pyrrol-2-yl]-2-[(5-methyl-4-phenyl-1H-imidazol-2-yl)sulfanyl]ethanamide

Systemtic Name: N-[3-cyano-4-methyl-5-(2-methylsulfanylethyl)-1H-pyrrol-2-yl]-2-[(5-methyl-4-phenyl-1H-imidazol-2-yl)sulfanyl]ethanamide Openeye Name: N-[3-cyano-4-methyl-5-(2-methylsulfanylethyl)-1H-pyrrol-2-yl]-2-[(5-methyl-4-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide CAS Name: N-[3-cyano-4-methyl-5-[2-(methylthio)ethyl]-1H-pyrrol-2-yl]-2-[(5-methyl-4-phenyl-1H-imidazol-2-yl)thio]acetamide IUPAC Name: N-[3-cyano-4-methyl-5-(2-methylsulfanylethyl)-1H-pyrrol-2-yl]-2-[(5-methyl-4-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide Traditional Name: N-[3-cyano-4-methyl-5-[2-(methylthio)ethyl]-1H-pyrrol-2-yl]-2-[(5-methyl-4-phenyl-1H-imidazol-2-yl)thio]acetamide Formula: C21H23N5OS2 MolecularWeight: 425.57022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5OS2/c1-13-16(11-22)20(24-17(13)9-10-28-3)25-18(27)12-29-21-23-14(2)19(26-21)15-7-5-4-6-8-15/h4-8,24H,9-10,12H2,1-3H3,(H,23,26)(H,25,27)