4-(3,3-dimethylbut-1-ynyl)-5-(phenylsulfonyl)-1H-pyrazole

Systemtic Name: 4-(3,3-dimethylbut-1-ynyl)-5-(phenylsulfonyl)-1H-pyrazole Openeye Name: 5-(benzenesulfonyl)-4-(3,3-dimethylbut-1-ynyl)-1H-pyrazole CAS Name: 5-(benzenesulfonyl)-4-(3,3-dimethylbut-1-ynyl)-1H-pyrazole IUPAC Name: 5-(benzenesulfonyl)-4-(3,3-dimethylbut-1-ynyl)-1H-pyrazole Traditional Name: 5-besyl-4-(3,3-dimethylbut-1-ynyl)-1H-pyrazole Formula: C15H16N2O2S MolecularWeight: 288.36474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C#CC1=C(NN=C1)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C#CC1=C(NN=C1)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C15H16N2O2S/c1-15(2,3)10-9-12-11-16-17-14(12)20(18,19)13-7-5-4-6-8-13/h4-8,11H,1-3H3,(H,16,17)