phenyl 2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethanesulfonate

Systemtic Name: phenyl 2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethanesulfonate Openeye Name: phenyl 2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethanesulfonate CAS Name: 2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylethanesulfonate Traditional Name: 2-[(4-methyl-6-phenyl-pyrimidin-2-yl)thio]ethanesulfonic acid phenyl ester Formula: C19H18N2O3S2 MolecularWeight: 386.48782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCCS(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCCS(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C19H18N2O3S2/c1-15-14-18(16-8-4-2-5-9-16)21-19(20-15)25-12-13-26(22,23)24-17-10-6-3-7-11-17/h2-11,14H,12-13H2,1H3