2-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-5-methyl-4-(3-oxidanylidenebutanoyl)pyrazol-3-olate

Systemtic Name: 2-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-5-methyl-4-(3-oxidanylidenebutanoyl)pyrazol-3-olate Openeye Name: 2-[4-(2,4-dichlorophenyl)thiazol-2-yl]-5-methyl-4-(3-oxobutanoyl)pyrazol-3-olate CAS Name: 2-[4-(2,4-dichlorophenyl)-2-thiazolyl]-4-(1,3-dioxobutyl)-5-methyl-3-pyrazololate IUPAC Name: 2-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-5-methyl-4-(3-oxobutanoyl)pyrazol-3-olate Traditional Name: 4-acetoacetyl-2-[4-(2,4-dichlorophenyl)thiazol-2-yl]-5-methyl-pyrazol-3-olate Formula: C17H12Cl2N3O3S- MolecularWeight: 409.26648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13Cl2N3O3S/c1-8(23)5-14(24)15-9(2)21-22(16(15)25)17-20-13(7-26-17)11-4-3-10(18)6-12(11)19/h3-4,6-7,25H,5H2,1-2H3/p-1