5-methyl-4-[(R)-(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)-thiophen-2-yl-methyl]-1H-pyrazol-3-olate

Systemtic Name: 5-methyl-4-[(R)-(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)-thiophen-2-yl-methyl]-1H-pyrazol-3-olate Openeye Name: 5-methyl-4-[(R)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-(2-thienyl)methyl]-1H-pyrazol-3-olate CAS Name: 5-methyl-4-[(R)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-thiophen-2-ylmethyl]-1H-pyrazol-3-olate IUPAC Name: 5-methyl-4-[(R)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-thiophen-2-ylmethyl]-1H-pyrazol-3-olate Traditional Name: 4-[(R)-(3-keto-5-methyl-3-pyrazolin-4-yl)-(2-thienyl)methyl]-5-methyl-1H-pyrazol-3-olate Formula: C13H13N4O2S- MolecularWeight: 289.33292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NN1)C(C2=CC=CS2)C3=C(NN=C3[O-])C

Isomeric SMILES

CC1=C(C(=O)NN1)[C@H](C2=CC=CS2)C3=C(NN=C3[O-])C

InChI

InChI=1S/C13H14N4O2S/c1-6-9(12(18)16-14-6)11(8-4-3-5-20-8)10-7(2)15-17-13(10)19/h3-5,11H,1-2H3,(H2,14,16,18)(H2,15,17,19)/p-1