1-[3,5-bis(methylsulfonyl)phenyl]-1-(4-bromophenyl)-2-(1,2,4-triazol-4-yl)ethanol

Systemtic Name: 1-[3,5-bis(methylsulfonyl)phenyl]-1-(4-bromophenyl)-2-(1,2,4-triazol-4-yl)ethanol Openeye Name: 1-[3,5-bis(methylsulfonyl)phenyl]-1-(4-bromophenyl)-2-(1,2,4-triazol-4-yl)ethanol CAS Name: 1-[3,5-bis(methylsulfonyl)phenyl]-1-(4-bromophenyl)-2-(1,2,4-triazol-4-yl)ethanol IUPAC Name: 1-[3,5-bis(methylsulfonyl)phenyl]-1-(4-bromophenyl)-2-(1,2,4-triazol-4-yl)ethanol Traditional Name: 1-(4-bromophenyl)-1-(3,5-dimesylphenyl)-2-(1,2,4-triazol-4-yl)ethanol Formula: C18H18BrN3O5S2 MolecularWeight: 500.38662

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=CC(=C1)C(CN2C=NN=C2)(C3=CC=C(C=C3)Br)O)S(=O)(=O)C

Isomeric SMILES

CS(=O)(=O)C1=CC(=CC(=C1)C(CN2C=NN=C2)(C3=CC=C(C=C3)Br)O)S(=O)(=O)C

InChI

InChI=1S/C18H18BrN3O5S2/c1-28(24,25)16-7-14(8-17(9-16)29(2,26)27)18(23,10-22-11-20-21-12-22)13-3-5-15(19)6-4-13/h3-9,11-12,23H,10H2,1-2H3