4-(1-adamantyl)-1-(1-ethyl-3-methyl-pyrazol-4-yl)sulfonyl-3,5-dimethyl-pyrazole

Systemtic Name: 4-(1-adamantyl)-1-(1-ethyl-3-methyl-pyrazol-4-yl)sulfonyl-3,5-dimethyl-pyrazole Openeye Name: 4-(1-adamantyl)-1-(1-ethyl-3-methyl-pyrazol-4-yl)sulfonyl-3,5-dimethyl-pyrazole CAS Name: 4-(1-adamantyl)-1-[(1-ethyl-3-methyl-4-pyrazolyl)sulfonyl]-3,5-dimethylpyrazole IUPAC Name: 4-(1-adamantyl)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-3,5-dimethylpyrazole Traditional Name: 4-(1-adamantyl)-1-(1-ethyl-3-methyl-pyrazol-4-yl)sulfonyl-3,5-dimethyl-pyrazole Formula: C21H30N4O2S MolecularWeight: 402.5535

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)S(=O)(=O)N2C(=C(C(=N2)C)C34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

CCN1C=C(C(=N1)C)S(=O)(=O)N2C(=C(C(=N2)C)C34CC5CC(C3)CC(C5)C4)C

InChI

InChI=1S/C21H30N4O2S/c1-5-24-12-19(13(2)22-24)28(26,27)25-15(4)20(14(3)23-25)21-9-16-6-17(10-21)8-18(7-16)11-21/h12,16-18H,5-11H2,1-4H3