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

Systemtic Name: 5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-(3-oxidanylidenebutanoyl)pyrazol-3-olate Openeye Name: 5-methyl-4-(3-oxobutanoyl)-2-[4-(p-tolyl)thiazol-2-yl]pyrazol-3-olate CAS Name: 4-(1,3-dioxobutyl)-5-methyl-2-[4-(4-methylphenyl)-2-thiazolyl]-3-pyrazololate IUPAC Name: 5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-(3-oxobutanoyl)pyrazol-3-olate Traditional Name: 4-acetoacetyl-5-methyl-2-[4-(p-tolyl)thiazol-2-yl]pyrazol-3-olate Formula: C18H16N3O3S- MolecularWeight: 354.40294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=N2)N3C(=C(C(=N3)C)C(=O)CC(=O)C)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=N2)N3C(=C(C(=N3)C)C(=O)CC(=O)C)[O-]

InChI

InChI=1S/C18H17N3O3S/c1-10-4-6-13(7-5-10)14-9-25-18(19-14)21-17(24)16(12(3)20-21)15(23)8-11(2)22/h4-7,9,24H,8H2,1-3H3/p-1