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

Systemtic Name: 5-[(5-bromanyl-3-methoxy-2-prop-2-ynoxy-phenyl)methylidene]-2-[(4-methylphenyl)amino]-1,3-thiazol-4-one Openeye Name: 5-[(5-bromo-3-methoxy-2-prop-2-ynoxy-phenyl)methylene]-2-(4-methylanilino)thiazol-4-one CAS Name: 5-[(5-bromo-3-methoxy-2-prop-2-ynoxyphenyl)methylidene]-2-(4-methylanilino)-4-thiazolone IUPAC Name: 5-[(5-bromo-3-methoxy-2-prop-2-ynoxyphenyl)methylidene]-2-(4-methylanilino)-1,3-thiazol-4-one Traditional Name: 5-(5-bromo-3-methoxy-2-propargyloxy-benzylidene)-2-(p-toluidino)-2-thiazolin-4-one Formula: C21H17BrN2O3S MolecularWeight: 457.34028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=O)C(=CC3=CC(=CC(=C3OCC#C)OC)Br)S2

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=O)C(=CC3=CC(=CC(=C3OCC#C)OC)Br)S2

InChI

InChI=1S/C21H17BrN2O3S/c1-4-9-27-19-14(10-15(22)12-17(19)26-3)11-18-20(25)24-21(28-18)23-16-7-5-13(2)6-8-16/h1,5-8,10-12H,9H2,2-3H3,(H,23,24,25)