(4S,5R)-5-hex-1-ynyl-5-methyl-4-(phenylsulfonyl)-3,4-dihydropyrazole

Systemtic Name: (4S,5R)-5-hex-1-ynyl-5-methyl-4-(phenylsulfonyl)-3,4-dihydropyrazole Openeye Name: (4S,5R)-4-(benzenesulfonyl)-5-hex-1-ynyl-5-methyl-3,4-dihydropyrazole CAS Name: (4S,5R)-4-(benzenesulfonyl)-5-hex-1-ynyl-5-methyl-3,4-dihydropyrazole IUPAC Name: (4S,5R)-4-(benzenesulfonyl)-5-hex-1-ynyl-5-methyl-3,4-dihydropyrazole Traditional Name: (3R,4S)-4-besyl-3-hex-1-ynyl-3-methyl-1-pyrazoline Formula: C16H20N2O2S MolecularWeight: 304.4072

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC1(C(CN=N1)S(=O)(=O)C2=CC=CC=C2)C

Isomeric SMILES

CCCCC#C[C@@]1([C@H](CN=N1)S(=O)(=O)C2=CC=CC=C2)C

InChI

InChI=1S/C16H20N2O2S/c1-3-4-5-9-12-16(2)15(13-17-18-16)21(19,20)14-10-7-6-8-11-14/h6-8,10-11,15H,3-5,13H2,1-2H3/t15-,16+/m0/s1