5-[(5-bromanyl-2-prop-2-ynoxy-phenyl)methylidene]-2-[(3,4-dimethylphenyl)amino]-1,3-thiazol-4-one

Systemtic Name: 5-[(5-bromanyl-2-prop-2-ynoxy-phenyl)methylidene]-2-[(3,4-dimethylphenyl)amino]-1,3-thiazol-4-one Openeye Name: 5-[(5-bromo-2-prop-2-ynoxy-phenyl)methylene]-2-(3,4-dimethylanilino)thiazol-4-one CAS Name: 5-[(5-bromo-2-prop-2-ynoxyphenyl)methylidene]-2-(3,4-dimethylanilino)-4-thiazolone IUPAC Name: 5-[(5-bromo-2-prop-2-ynoxyphenyl)methylidene]-2-(3,4-dimethylanilino)-1,3-thiazol-4-one Traditional Name: 5-(5-bromo-2-propargyloxy-benzylidene)-2-(3,4-dimethylanilino)-2-thiazolin-4-one Formula: C21H17BrN2O2S MolecularWeight: 441.34088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC(=O)C(=CC3=C(C=CC(=C3)Br)OCC#C)S2)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC(=O)C(=CC3=C(C=CC(=C3)Br)OCC#C)S2)C

InChI

InChI=1S/C21H17BrN2O2S/c1-4-9-26-18-8-6-16(22)11-15(18)12-19-20(25)24-21(27-19)23-17-7-5-13(2)14(3)10-17/h1,5-8,10-12H,9H2,2-3H3,(H,23,24,25)