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

Systemtic Name: 3-cyano-N-[4-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-1,3-thiazol-2-yl]benzamide Openeye Name: 3-cyano-N-[4-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)thiazol-2-yl]benzamide CAS Name: 3-cyano-N-[4-(2,5-dimethyl-1-phenethyl-3-pyrrolyl)-2-thiazolyl]benzamide IUPAC Name: 3-cyano-N-[4-(2,5-dimethyl-1-phenethylpyrrol-3-yl)-1,3-thiazol-2-yl]benzamide Traditional Name: 3-cyano-N-[4-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)thiazol-2-yl]benzamide Formula: C25H22N4OS MolecularWeight: 426.53338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C3=CSC(=N3)NC(=O)C4=CC=CC(=C4)C#N

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C3=CSC(=N3)NC(=O)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C25H22N4OS/c1-17-13-22(18(2)29(17)12-11-19-7-4-3-5-8-19)23-16-31-25(27-23)28-24(30)21-10-6-9-20(14-21)15-26/h3-10,13-14,16H,11-12H2,1-2H3,(H,27,28,30)