(E)-2-cyano-3-[[4-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-1,3-thiazol-2-yl]amino]but-2-enamide

Systemtic Name: (E)-2-cyano-3-[[4-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-1,3-thiazol-2-yl]amino]but-2-enamide Openeye Name: (E)-2-cyano-3-[[4-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)thiazol-2-yl]amino]but-2-enamide CAS Name: (E)-2-cyano-3-[[4-(2,5-dimethyl-1-phenethyl-3-pyrrolyl)-2-thiazolyl]amino]-2-butenamide IUPAC Name: (E)-2-cyano-3-[[4-(2,5-dimethyl-1-phenethylpyrrol-3-yl)-1,3-thiazol-2-yl]amino]but-2-enamide Traditional Name: (E)-2-cyano-3-[[4-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)thiazol-2-yl]amino]but-2-enamide Formula: C22H23N5OS MolecularWeight: 405.51592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C3=CSC(=N3)N/C(=C(\C#N)/C(=O)N)/C

InChI

InChI=1S/C22H23N5OS/c1-14-11-18(16(3)27(14)10-9-17-7-5-4-6-8-17)20-13-29-22(26-20)25-15(2)19(12-23)21(24)28/h4-8,11,13H,9-10H2,1-3H3,(H2,24,28)(H,25,26)/b19-15+