7-chloranyl-3-(4-hexadecylsulfonylbutan-2-yl)-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazole

Systemtic Name: 7-chloranyl-3-(4-hexadecylsulfonylbutan-2-yl)-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazole Openeye Name: 7-chloro-3-(3-hexadecylsulfonyl-1-methyl-propyl)-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazole CAS Name: 7-chloro-3-(4-hexadecylsulfonylbutan-2-yl)-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazole IUPAC Name: 7-chloro-3-(4-hexadecylsulfonylbutan-2-yl)-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazole Traditional Name: 3-(3-cetylsulfonyl-1-methyl-propyl)-7-chloro-6-methyl-5H-pyrazolo[5,1-c][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=NN=C2N1NC(=C2Cl)C

Isomeric SMILES

CCCCCCCCCCCCCCCCS(=O)(=O)CCC(C)C1=NN=C2N1NC(=C2Cl)C

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)24-27-28-25-23(26)22(3)29-30(24)25/h21,29H,4-20H2,1-3H3