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

Systemtic Name: N-[3-cyano-4,5-dimethyl-1-(phenylmethyl)pyrrol-2-yl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanamide Openeye Name: N-(1-benzyl-3-cyano-4,5-dimethyl-pyrrol-2-yl)-2-(4-methylthiazol-2-yl)sulfanyl-acetamide CAS Name: N-[3-cyano-4,5-dimethyl-1-(phenylmethyl)-2-pyrrolyl]-2-[(4-methyl-2-thiazolyl)thio]acetamide IUPAC Name: N-(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide Traditional Name: N-(1-benzyl-3-cyano-4,5-dimethyl-pyrrol-2-yl)-2-[(4-methylthiazol-2-yl)thio]acetamide Formula: C20H20N4OS2 MolecularWeight: 396.529

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SCC(=O)NC2=C(C(=C(N2CC3=CC=CC=C3)C)C)C#N

Isomeric SMILES

CC1=CSC(=N1)SCC(=O)NC2=C(C(=C(N2CC3=CC=CC=C3)C)C)C#N

InChI

InChI=1S/C20H20N4OS2/c1-13-11-26-20(22-13)27-12-18(25)23-19-17(9-21)14(2)15(3)24(19)10-16-7-5-4-6-8-16/h4-8,11H,10,12H2,1-3H3,(H,23,25)