5-[(5-fluoranyl-2-methyl-4-pyrrolidin-1-yl-phenyl)methylidene]-2-[(2-methylphenyl)amino]-1,3-thiazol-4-one

Systemtic Name: 5-[(5-fluoranyl-2-methyl-4-pyrrolidin-1-yl-phenyl)methylidene]-2-[(2-methylphenyl)amino]-1,3-thiazol-4-one Openeye Name: 5-[(5-fluoro-2-methyl-4-pyrrolidin-1-yl-phenyl)methylene]-2-(2-methylanilino)thiazol-4-one CAS Name: 5-[[5-fluoro-2-methyl-4-(1-pyrrolidinyl)phenyl]methylidene]-2-(2-methylanilino)-4-thiazolone IUPAC Name: 5-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylidene]-2-(2-methylanilino)-1,3-thiazol-4-one Traditional Name: 5-(5-fluoro-2-methyl-4-pyrrolidino-benzylidene)-2-(o-toluidino)-2-thiazolin-4-one Formula: C22H22FN3OS MolecularWeight: 395.492983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NC(=O)C(=CC3=CC(=C(C=C3C)N4CCCC4)F)S2

Isomeric SMILES

CC1=CC=CC=C1NC2=NC(=O)C(=CC3=CC(=C(C=C3C)N4CCCC4)F)S2

InChI

InChI=1S/C22H22FN3OS/c1-14-7-3-4-8-18(14)24-22-25-21(27)20(28-22)13-16-12-17(23)19(11-15(16)2)26-9-5-6-10-26/h3-4,7-8,11-13H,5-6,9-10H2,1-2H3,(H,24,25,27)