phenyl 2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylethanesulfonate

Systemtic Name: phenyl 2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylethanesulfonate Openeye Name: phenyl 2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylethanesulfonate CAS Name: 2-[[1-(4-bromophenyl)-2-imidazolyl]thio]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylethanesulfonate Traditional Name: 2-[[1-(4-bromophenyl)imidazol-2-yl]thio]ethanesulfonic acid phenyl ester Formula: C17H15BrN2O3S2 MolecularWeight: 439.3466

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OS(=O)(=O)CCSC2=NC=CN2C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)OS(=O)(=O)CCSC2=NC=CN2C3=CC=C(C=C3)Br

InChI

InChI=1S/C17H15BrN2O3S2/c18-14-6-8-15(9-7-14)20-11-10-19-17(20)24-12-13-25(21,22)23-16-4-2-1-3-5-16/h1-11H,12-13H2