4-[4-(1-adamantyl)-3,5-dimethyl-pyrazol-1-yl]sulfonyl-2,1,3-benzothiadiazole

Systemtic Name: 4-[4-(1-adamantyl)-3,5-dimethyl-pyrazol-1-yl]sulfonyl-2,1,3-benzothiadiazole Openeye Name: 4-[4-(1-adamantyl)-3,5-dimethyl-pyrazol-1-yl]sulfonyl-2,1,3-benzothiadiazole CAS Name: 4-[[4-(1-adamantyl)-3,5-dimethyl-1-pyrazolyl]sulfonyl]-2,1,3-benzothiadiazole IUPAC Name: 4-[4-(1-adamantyl)-3,5-dimethylpyrazol-1-yl]sulfonyl-2,1,3-benzothiadiazole Traditional Name: 4-[4-(1-adamantyl)-3,5-dimethyl-pyrazol-1-yl]sulfonylpiazthiole Formula: C21H24N4O2S2 MolecularWeight: 428.57086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1S(=O)(=O)C2=CC=CC3=NSN=C32)C)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=C(C(=NN1S(=O)(=O)C2=CC=CC3=NSN=C32)C)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C21H24N4O2S2/c1-12-19(21-9-14-6-15(10-21)8-16(7-14)11-21)13(2)25(22-12)29(26,27)18-5-3-4-17-20(18)24-28-23-17/h3-5,14-16H,6-11H2,1-2H3