phenyl 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylethanesulfonate

Systemtic Name: phenyl 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylethanesulfonate Openeye Name: phenyl 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylethanesulfonate CAS Name: 2-[[1-(2,3-dimethylphenyl)-2-imidazolyl]thio]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylethanesulfonate Traditional Name: 2-[[1-(2,3-dimethylphenyl)imidazol-2-yl]thio]ethanesulfonic acid phenyl ester Formula: C19H20N2O3S2 MolecularWeight: 388.5037

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C=CN=C2SCCS(=O)(=O)OC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C=CN=C2SCCS(=O)(=O)OC3=CC=CC=C3)C

InChI

InChI=1S/C19H20N2O3S2/c1-15-7-6-10-18(16(15)2)21-12-11-20-19(21)25-13-14-26(22,23)24-17-8-4-3-5-9-17/h3-12H,13-14H2,1-2H3