4-[2-[3-chloranyl-2-(4-methylphenyl)sulfonyl-phenyl]hexyl]-1,2,4-triazole

Systemtic Name: 4-[2-[3-chloranyl-2-(4-methylphenyl)sulfonyl-phenyl]hexyl]-1,2,4-triazole Openeye Name: 4-[2-[3-chloro-2-(p-tolylsulfonyl)phenyl]hexyl]-1,2,4-triazole CAS Name: 4-[2-[3-chloro-2-(4-methylphenyl)sulfonylphenyl]hexyl]-1,2,4-triazole IUPAC Name: 4-[2-[3-chloro-2-(4-methylphenyl)sulfonylphenyl]hexyl]-1,2,4-triazole Traditional Name: 4-[2-(3-chloro-2-tosyl-phenyl)hexyl]-1,2,4-triazole Formula: C21H24ClN3O2S MolecularWeight: 417.95216

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CN1C=NN=C1)C2=C(C(=CC=C2)Cl)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCC(CN1C=NN=C1)C2=C(C(=CC=C2)Cl)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H24ClN3O2S/c1-3-4-6-17(13-25-14-23-24-15-25)19-7-5-8-20(22)21(19)28(26,27)18-11-9-16(2)10-12-18/h5,7-12,14-15,17H,3-4,6,13H2,1-2H3