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

Systemtic Name: (3R,4S)-4-(3,3-dimethylbut-1-ynyl)-3-(phenylsulfonyl)-4,5-dihydro-3H-pyrazole Openeye Name: (3R,4S)-3-(benzenesulfonyl)-4-(3,3-dimethylbut-1-ynyl)-4,5-dihydro-3H-pyrazole CAS Name: (3R,4S)-3-(benzenesulfonyl)-4-(3,3-dimethylbut-1-ynyl)-4,5-dihydro-3H-pyrazole IUPAC Name: (3R,4S)-3-(benzenesulfonyl)-4-(3,3-dimethylbut-1-ynyl)-4,5-dihydro-3H-pyrazole Traditional Name: (3R,4S)-3-besyl-4-(3,3-dimethylbut-1-ynyl)-1-pyrazoline Formula: C15H18N2O2S MolecularWeight: 290.38062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C#CC1CN=NC1S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C#C[C@H]1CN=N[C@@H]1S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C15H18N2O2S/c1-15(2,3)10-9-12-11-16-17-14(12)20(18,19)13-7-5-4-6-8-13/h4-8,12,14H,11H2,1-3H3/t12-,14+/m0/s1