3-(5-tert-butyl-2-methyl-pyrazol-3-yl)-5-[2-(oxan-4-ylmethylsulfonyl)propan-2-yl]-1H-1,2,4-triazole

Systemtic Name: 3-(5-tert-butyl-2-methyl-pyrazol-3-yl)-5-[2-(oxan-4-ylmethylsulfonyl)propan-2-yl]-1H-1,2,4-triazole Openeye Name: 3-(5-tert-butyl-2-methyl-pyrazol-3-yl)-5-[1-methyl-1-(tetrahydropyran-4-ylmethylsulfonyl)ethyl]-1H-1,2,4-triazole CAS Name: 3-(5-tert-butyl-2-methyl-3-pyrazolyl)-5-[2-(4-oxanylmethylsulfonyl)propan-2-yl]-1H-1,2,4-triazole IUPAC Name: 3-(5-tert-butyl-2-methylpyrazol-3-yl)-5-[2-(oxan-4-ylmethylsulfonyl)propan-2-yl]-1H-1,2,4-triazole Traditional Name: 3-(5-tert-butyl-2-methyl-pyrazol-3-yl)-5-[1-methyl-1-(tetrahydropyran-4-ylmethylsulfonyl)ethyl]-1H-1,2,4-triazole Formula: C19H31N5O3S MolecularWeight: 409.54614

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)C2=NNC(=N2)C(C)(C)S(=O)(=O)CC3CCOCC3)C

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)C2=NNC(=N2)C(C)(C)S(=O)(=O)CC3CCOCC3)C

InChI

InChI=1S/C19H31N5O3S/c1-18(2,3)15-11-14(24(6)23-15)16-20-17(22-21-16)19(4,5)28(25,26)12-13-7-9-27-10-8-13/h11,13H,7-10,12H2,1-6H3,(H,20,21,22)