3-(2-chlorophenyl)-5-hexadecylsulfonyl-1H-1,2,4-triazole

Systemtic Name: 3-(2-chlorophenyl)-5-hexadecylsulfonyl-1H-1,2,4-triazole Openeye Name: 3-(2-chlorophenyl)-5-hexadecylsulfonyl-1H-1,2,4-triazole CAS Name: 3-(2-chlorophenyl)-5-hexadecylsulfonyl-1H-1,2,4-triazole IUPAC Name: 3-(2-chlorophenyl)-5-hexadecylsulfonyl-1H-1,2,4-triazole Traditional Name: 5-cetylsulfonyl-3-(2-chlorophenyl)-1H-1,2,4-triazole Formula: C24H38ClN3O2S MolecularWeight: 468.09542

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCS(=O)(=O)C1=NC(=NN1)C2=CC=CC=C2Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCS(=O)(=O)C1=NC(=NN1)C2=CC=CC=C2Cl

InChI

InChI=1S/C24H38ClN3O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-31(29,30)24-26-23(27-28-24)21-18-15-16-19-22(21)25/h15-16,18-19H,2-14,17,20H2,1H3,(H,26,27,28)