(2Z)-5-bromanyl-2-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methylidene]-1-benzofuran-3-one

Systemtic Name: (2Z)-5-bromanyl-2-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methylidene]-1-benzofuran-3-one Openeye Name: (2Z)-5-bromo-2-[[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methylene]benzofuran-3-one CAS Name: (2Z)-5-bromo-2-[(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)methylidene]-3-benzofuranone IUPAC Name: (2Z)-5-bromo-2-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]-1-benzofuran-3-one Traditional Name: (2Z)-5-bromo-2-[[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methylene]coumaran-3-one Formula: C22H13BrN2O2S MolecularWeight: 449.31982

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)C=C4C(=O)C5=C(O4)C=CC(=C5)Br

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)/C=C\4/C(=O)C5=C(O4)C=CC(=C5)Br

InChI

InChI=1S/C22H13BrN2O2S/c23-15-8-9-18-17(12-15)22(26)19(27-18)11-14-13-25(16-5-2-1-3-6-16)24-21(14)20-7-4-10-28-20/h1-13H/b19-11-