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

Systemtic Name: 5-[(5-bromanyl-3-methoxy-2-prop-2-ynoxy-phenyl)methylidene]-2-[(3-chloranyl-2-methyl-phenyl)amino]-1,3-thiazol-4-one Openeye Name: 5-[(5-bromo-3-methoxy-2-prop-2-ynoxy-phenyl)methylene]-2-(3-chloro-2-methyl-anilino)thiazol-4-one CAS Name: 5-[(5-bromo-3-methoxy-2-prop-2-ynoxyphenyl)methylidene]-2-(3-chloro-2-methylanilino)-4-thiazolone IUPAC Name: 5-[(5-bromo-3-methoxy-2-prop-2-ynoxyphenyl)methylidene]-2-(3-chloro-2-methylanilino)-1,3-thiazol-4-one Traditional Name: 5-(5-bromo-3-methoxy-2-propargyloxy-benzylidene)-2-(3-chloro-2-methyl-anilino)-2-thiazolin-4-one Formula: C21H16BrClN2O3S MolecularWeight: 491.78534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC2=NC(=O)C(=CC3=CC(=CC(=C3OCC#C)OC)Br)S2

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC2=NC(=O)C(=CC3=CC(=CC(=C3OCC#C)OC)Br)S2

InChI

InChI=1S/C21H16BrClN2O3S/c1-4-8-28-19-13(9-14(22)11-17(19)27-3)10-18-20(26)25-21(29-18)24-16-7-5-6-15(23)12(16)2/h1,5-7,9-11H,8H2,2-3H3,(H,24,25,26)