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

Systemtic Name: 2-[(4-chlorophenyl)amino]-5-[(5-fluoranyl-2-methyl-4-pyrrolidin-1-yl-phenyl)methylidene]-1,3-thiazol-4-one Openeye Name: 2-(4-chloroanilino)-5-[(5-fluoro-2-methyl-4-pyrrolidin-1-yl-phenyl)methylene]thiazol-4-one CAS Name: 2-(4-chloroanilino)-5-[[5-fluoro-2-methyl-4-(1-pyrrolidinyl)phenyl]methylidene]-4-thiazolone IUPAC Name: 2-(4-chloroanilino)-5-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylidene]-1,3-thiazol-4-one Traditional Name: 2-(4-chloroanilino)-5-(5-fluoro-2-methyl-4-pyrrolidino-benzylidene)-2-thiazolin-4-one Formula: C21H19ClFN3OS MolecularWeight: 415.911463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C=C2C(=O)N=C(S2)NC3=CC=C(C=C3)Cl)F)N4CCCC4

Isomeric SMILES

CC1=CC(=C(C=C1C=C2C(=O)N=C(S2)NC3=CC=C(C=C3)Cl)F)N4CCCC4

InChI

InChI=1S/C21H19ClFN3OS/c1-13-10-18(26-8-2-3-9-26)17(23)11-14(13)12-19-20(27)25-21(28-19)24-16-6-4-15(22)5-7-16/h4-7,10-12H,2-3,8-9H2,1H3,(H,24,25,27)