(5E)-2-(2-bromanyl-5-methoxy-phenyl)-5-[(3-nitrophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

Systemtic Name: (5E)-2-(2-bromanyl-5-methoxy-phenyl)-5-[(3-nitrophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one Openeye Name: (5E)-2-(2-bromo-5-methoxy-phenyl)-5-[(3-nitrophenyl)methylene]thiazolo[3,2-b][1,2,4]triazol-6-one CAS Name: (5E)-2-(2-bromo-5-methoxyphenyl)-5-[(3-nitrophenyl)methylidene]-6-thiazolo[3,2-b][1,2,4]triazolone IUPAC Name: (5E)-2-(2-bromo-5-methoxyphenyl)-5-[(3-nitrophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one Traditional Name: (5E)-2-(2-bromo-5-methoxy-phenyl)-5-(3-nitrobenzylidene)thiazolo[3,2-b][1,2,4]triazol-6-one Formula: C18H11BrN4O4S MolecularWeight: 459.27334

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)C2=NN3C(=O)C(=CC4=CC(=CC=C4)[N+](=O)[O-])SC3=N2

Isomeric SMILES

COC1=CC(=C(C=C1)Br)C2=NN3C(=O)/C(=C\C4=CC(=CC=C4)[N+](=O)[O-])/SC3=N2

InChI

InChI=1S/C18H11BrN4O4S/c1-27-12-5-6-14(19)13(9-12)16-20-18-22(21-16)17(24)15(28-18)8-10-3-2-4-11(7-10)23(25)26/h2-9H,1H3/b15-8+