3-[2-(1-benzothiophen-5-ylmethylsulfonyl)ethyl]-1-tert-butyl-5-methyl-pyrazole

Systemtic Name: 3-[2-(1-benzothiophen-5-ylmethylsulfonyl)ethyl]-1-tert-butyl-5-methyl-pyrazole Openeye Name: 3-[2-(benzothiophen-5-ylmethylsulfonyl)ethyl]-1-tert-butyl-5-methyl-pyrazole CAS Name: 3-[2-(1-benzothiophen-5-ylmethylsulfonyl)ethyl]-1-tert-butyl-5-methylpyrazole IUPAC Name: 3-[2-(1-benzothiophen-5-ylmethylsulfonyl)ethyl]-1-tert-butyl-5-methylpyrazole Traditional Name: 3-[2-(benzothiophen-5-ylmethylsulfonyl)ethyl]-1-tert-butyl-5-methyl-pyrazole Formula: C19H24N2O2S2 MolecularWeight: 376.53606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C(C)(C)C)CCS(=O)(=O)CC2=CC3=C(C=C2)SC=C3

Isomeric SMILES

CC1=CC(=NN1C(C)(C)C)CCS(=O)(=O)CC2=CC3=C(C=C2)SC=C3

InChI

InChI=1S/C19H24N2O2S2/c1-14-11-17(20-21(14)19(2,3)4)8-10-25(22,23)13-15-5-6-18-16(12-15)7-9-24-18/h5-7,9,11-12H,8,10,13H2,1-4H3