5-methyl-4-(3-oxidanylidenebutanoyl)-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-olate

Systemtic Name: 5-methyl-4-(3-oxidanylidenebutanoyl)-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-olate Openeye Name: 5-methyl-4-(3-oxobutanoyl)-2-(4-phenylthiazol-2-yl)pyrazol-3-olate CAS Name: 4-(1,3-dioxobutyl)-5-methyl-2-(4-phenyl-2-thiazolyl)-3-pyrazololate IUPAC Name: 5-methyl-4-(3-oxobutanoyl)-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-olate Traditional Name: 4-acetoacetyl-5-methyl-2-(4-phenylthiazol-2-yl)pyrazol-3-olate Formula: C17H14N3O3S- MolecularWeight: 340.37636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)CC(=O)C)[O-])C2=NC(=CS2)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C(=O)CC(=O)C)[O-])C2=NC(=CS2)C3=CC=CC=C3

InChI

InChI=1S/C17H15N3O3S/c1-10(21)8-14(22)15-11(2)19-20(16(15)23)17-18-13(9-24-17)12-6-4-3-5-7-12/h3-7,9,23H,8H2,1-2H3/p-1