5-methyl-4-[(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methyl]-1,2-dihydropyrazol-3-one

Systemtic Name: 5-methyl-4-[(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methyl]-1,2-dihydropyrazol-3-one Openeye Name: 5-methyl-4-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methyl]-1,2-dihydropyrazol-3-one CAS Name: 5-methyl-4-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)methyl]-1,2-dihydropyrazol-3-one IUPAC Name: 5-methyl-4-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]-1,2-dihydropyrazol-3-one Traditional Name: 4-[(3-keto-5-methyl-3-pyrazolin-4-yl)-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methyl]-5-methyl-3-pyrazolin-3-one Formula: C22H20N6O2S MolecularWeight: 432.4982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NN1)C(C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4)C5=C(NNC5=O)C

Isomeric SMILES

CC1=C(C(=O)NN1)C(C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4)C5=C(NNC5=O)C

InChI

InChI=1S/C22H20N6O2S/c1-12-17(21(29)25-23-12)19(18-13(2)24-26-22(18)30)15-11-28(14-7-4-3-5-8-14)27-20(15)16-9-6-10-31-16/h3-11,19H,1-2H3,(H2,23,25,29)(H2,24,26,30)