(4-cyanophenyl)methyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate

Systemtic Name: (4-cyanophenyl)methyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate Openeye Name: (4-cyanophenyl)methyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]acetic acid (4-cyanobenzyl) ester Formula: C16H15N3O2S MolecularWeight: 313.3742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)OCC2=CC=C(C=C2)C#N)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)OCC2=CC=C(C=C2)C#N)C

InChI

InChI=1S/C16H15N3O2S/c1-11-7-12(2)19-16(18-11)22-10-15(20)21-9-14-5-3-13(8-17)4-6-14/h3-7H,9-10H2,1-2H3