4-(3,3-dimethylbut-1-ynyl)-1-methyl-3-(phenylsulfonyl)pyrazole

Systemtic Name: 4-(3,3-dimethylbut-1-ynyl)-1-methyl-3-(phenylsulfonyl)pyrazole Openeye Name: 3-(benzenesulfonyl)-4-(3,3-dimethylbut-1-ynyl)-1-methyl-pyrazole CAS Name: 3-(benzenesulfonyl)-4-(3,3-dimethylbut-1-ynyl)-1-methylpyrazole IUPAC Name: 3-(benzenesulfonyl)-4-(3,3-dimethylbut-1-ynyl)-1-methylpyrazole Traditional Name: 3-besyl-4-(3,3-dimethylbut-1-ynyl)-1-methyl-pyrazole Formula: C16H18N2O2S MolecularWeight: 302.39132

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C#CC1=CN(N=C1S(=O)(=O)C2=CC=CC=C2)C

Isomeric SMILES

CC(C)(C)C#CC1=CN(N=C1S(=O)(=O)C2=CC=CC=C2)C

InChI

InChI=1S/C16H18N2O2S/c1-16(2,3)11-10-13-12-18(4)17-15(13)21(19,20)14-8-6-5-7-9-14/h5-9,12H,1-4H3