4-hex-1-ynyl-5-(phenylsulfonyl)-1H-pyrazole

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N2O2S/c1-2-3-4-6-9-13-12-16-17-15(13)20(18,19)14-10-7-5-8-11-14/h5,7-8,10-12H,2-4H2,1H3,(H,16,17)