(2Z)-2-[[[2-(2-azanyl-1,3-thiazol-4-yl)-5-bromanyl-1-benzofuran-3-yl]amino]-oxidanyl-methylidene]-3-oxidanylidene-butanenitrile

Systemtic Name: (2Z)-2-[[[2-(2-azanyl-1,3-thiazol-4-yl)-5-bromanyl-1-benzofuran-3-yl]amino]-oxidanyl-methylidene]-3-oxidanylidene-butanenitrile Openeye Name: (2Z)-2-[[[2-(2-aminothiazol-4-yl)-5-bromo-benzofuran-3-yl]amino]-hydroxy-methylene]-3-oxo-butanenitrile CAS Name: (2Z)-2-[[[2-(2-amino-4-thiazolyl)-5-bromo-3-benzofuranyl]amino]-hydroxymethylidene]-3-oxobutanenitrile IUPAC Name: (2Z)-2-[[[2-(2-amino-1,3-thiazol-4-yl)-5-bromo-1-benzofuran-3-yl]amino]-hydroxymethylidene]-3-oxobutanenitrile Traditional Name: (Z)-2-acetyl-3-[[2-(2-aminothiazol-4-yl)-5-bromo-benzofuran-3-yl]amino]-3-hydroxy-acrylonitrile Formula: C16H11BrN4O3S MolecularWeight: 419.25254

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=C(NC1=C(OC2=C1C=C(C=C2)Br)C3=CSC(=N3)N)O)C#N

Isomeric SMILES

CC(=O)/C(=C(/NC1=C(OC2=C1C=C(C=C2)Br)C3=CSC(=N3)N)\O)/C#N

InChI

InChI=1S/C16H11BrN4O3S/c1-7(22)10(5-18)15(23)21-13-9-4-8(17)2-3-12(9)24-14(13)11-6-25-16(19)20-11/h2-4,6,21,23H,1H3,(H2,19,20)/b15-10-