4-[(4-methylpyrimidin-2-yl)sulfanylmethyl]benzoate

Systemtic Name: 4-[(4-methylpyrimidin-2-yl)sulfanylmethyl]benzoate Openeye Name: 4-[(4-methylpyrimidin-2-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(4-methyl-2-pyrimidinyl)thio]methyl]benzoate IUPAC Name: 4-[(4-methylpyrimidin-2-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(4-methylpyrimidin-2-yl)thio]methyl]benzoate Formula: C13H11N2O2S- MolecularWeight: 259.30364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)SCC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

CC1=NC(=NC=C1)SCC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C13H12N2O2S/c1-9-6-7-14-13(15-9)18-8-10-2-4-11(5-3-10)12(16)17/h2-7H,8H2,1H3,(H,16,17)/p-1