5-tert-butyl-2-methyl-4-(thiophen-2-ylmethylidene)pyrazol-3-one

Systemtic Name: 5-tert-butyl-2-methyl-4-(thiophen-2-ylmethylidene)pyrazol-3-one Openeye Name: 5-tert-butyl-2-methyl-4-(2-thienylmethylene)pyrazol-3-one CAS Name: 5-tert-butyl-2-methyl-4-(thiophen-2-ylmethylidene)-3-pyrazolone IUPAC Name: 5-tert-butyl-2-methyl-4-(thiophen-2-ylmethylidene)pyrazol-3-one Traditional Name: 5-tert-butyl-2-methyl-4-(2-thenylidene)-2-pyrazolin-3-one Formula: C13H16N2OS MolecularWeight: 248.34394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=O)C1=CC2=CC=CS2)C

Isomeric SMILES

CC(C)(C)C1=NN(C(=O)C1=CC2=CC=CS2)C

InChI

InChI=1S/C13H16N2OS/c1-13(2,3)11-10(12(16)15(4)14-11)8-9-6-5-7-17-9/h5-8H,1-4H3