7-chloranyl-2-(4-hexadecylsulfonylbutan-2-yl)-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazole

Systemtic Name: 7-chloranyl-2-(4-hexadecylsulfonylbutan-2-yl)-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazole Openeye Name: 7-chloro-2-(3-hexadecylsulfonyl-1-methyl-propyl)-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazole CAS Name: 7-chloro-2-(4-hexadecylsulfonylbutan-2-yl)-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazole IUPAC Name: 7-chloro-2-(4-hexadecylsulfonylbutan-2-yl)-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazole Traditional Name: 2-(3-cetylsulfonyl-1-methyl-propyl)-7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazole Formula: C25H45ClN4O2S MolecularWeight: 501.1684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCS(=O)(=O)CCC(C)C1=NN2C(=N1)C(=C(N2)C)Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCS(=O)(=O)CCC(C)C1=NN2C(=N1)C(=C(N2)C)Cl

InChI

InChI=1S/C25H45ClN4O2S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-33(31,32)20-18-21(2)24-27-25-23(26)22(3)28-30(25)29-24/h21,28H,4-20H2,1-3H3