methyl 4-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]benzoate Openeye Name: methyl 4-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(4,5,6-trimethyl-2-pyrimidinyl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(4,5,6-trimethylpyrimidin-2-yl)thio]methyl]benzoic acid methyl ester Formula: C16H18N2O2S MolecularWeight: 302.39132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1C)SCC2=CC=C(C=C2)C(=O)OC)C

Isomeric SMILES

CC1=C(N=C(N=C1C)SCC2=CC=C(C=C2)C(=O)OC)C

InChI

InChI=1S/C16H18N2O2S/c1-10-11(2)17-16(18-12(10)3)21-9-13-5-7-14(8-6-13)15(19)20-4/h5-8H,9H2,1-4H3