3-hexadecylsulfonyl-5-propyl-1H-1,2,4-triazole

Systemtic Name: 3-hexadecylsulfonyl-5-propyl-1H-1,2,4-triazole Openeye Name: 3-hexadecylsulfonyl-5-propyl-1H-1,2,4-triazole CAS Name: 3-hexadecylsulfonyl-5-propyl-1H-1,2,4-triazole IUPAC Name: 3-hexadecylsulfonyl-5-propyl-1H-1,2,4-triazole Traditional Name: 3-cetylsulfonyl-5-propyl-1H-1,2,4-triazole Formula: C21H41N3O2S MolecularWeight: 399.63414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCS(=O)(=O)C1=NNC(=N1)CCC

Isomeric SMILES

CCCCCCCCCCCCCCCCS(=O)(=O)C1=NNC(=N1)CCC

InChI

InChI=1S/C21H41N3O2S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-27(25,26)21-22-20(18-4-2)23-24-21/h3-19H2,1-2H3,(H,22,23,24)