5-methyl-4-(2-methylsulfanylpyridin-3-yl)carbonyl-2-phenyl-pyrazol-3-olate

Systemtic Name: 5-methyl-4-(2-methylsulfanylpyridin-3-yl)carbonyl-2-phenyl-pyrazol-3-olate Openeye Name: 5-methyl-4-(2-methylsulfanylpyridine-3-carbonyl)-2-phenyl-pyrazol-3-olate CAS Name: 5-methyl-4-[[2-(methylthio)-3-pyridinyl]-oxomethyl]-2-phenyl-3-pyrazololate IUPAC Name: 5-methyl-4-(2-methylsulfanylpyridine-3-carbonyl)-2-phenylpyrazol-3-olate Traditional Name: 5-methyl-4-[2-(methylthio)nicotinoyl]-2-phenyl-pyrazol-3-olate Formula: C17H14N3O2S- MolecularWeight: 324.37696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)C2=C(N=CC=C2)SC)[O-])C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C(=O)C2=C(N=CC=C2)SC)[O-])C3=CC=CC=C3

InChI

InChI=1S/C17H15N3O2S/c1-11-14(15(21)13-9-6-10-18-16(13)23-2)17(22)20(19-11)12-7-4-3-5-8-12/h3-10,22H,1-2H3/p-1