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

Systemtic Name: 4-cyano-N-[4-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]-1,3-thiazol-2-yl]benzamide Openeye Name: N-[4-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)thiazol-2-yl]-4-cyano-benzamide CAS Name: 4-cyano-N-[4-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]-2-thiazolyl]benzamide IUPAC Name: N-[4-(1-benzyl-2,5-dimethylpyrrol-3-yl)-1,3-thiazol-2-yl]-4-cyanobenzamide Traditional Name: N-[4-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)thiazol-2-yl]-4-cyano-benzamide Formula: C24H20N4OS MolecularWeight: 412.5068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CC=C2)C)C3=CSC(=N3)NC(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CC=C2)C)C3=CSC(=N3)NC(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C24H20N4OS/c1-16-12-21(17(2)28(16)14-19-6-4-3-5-7-19)22-15-30-24(26-22)27-23(29)20-10-8-18(13-25)9-11-20/h3-12,15H,14H2,1-2H3,(H,26,27,29)