phenyl 2-(1-methyl-5-phenyl-imidazol-2-yl)sulfanylethanesulfonate

Systemtic Name: phenyl 2-(1-methyl-5-phenyl-imidazol-2-yl)sulfanylethanesulfonate Openeye Name: phenyl 2-(1-methyl-5-phenyl-imidazol-2-yl)sulfanylethanesulfonate CAS Name: 2-[(1-methyl-5-phenyl-2-imidazolyl)thio]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-(1-methyl-5-phenylimidazol-2-yl)sulfanylethanesulfonate Traditional Name: 2-[(1-methyl-5-phenyl-imidazol-2-yl)thio]ethanesulfonic acid phenyl ester Formula: C18H18N2O3S2 MolecularWeight: 374.47712

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1SCCS(=O)(=O)OC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CN1C(=CN=C1SCCS(=O)(=O)OC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C18H18N2O3S2/c1-20-17(15-8-4-2-5-9-15)14-19-18(20)24-12-13-25(21,22)23-16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3