4-[(6-phenylpyrimidin-4-yl)sulfanylmethyl]benzoic acid

Systemtic Name: 4-[(6-phenylpyrimidin-4-yl)sulfanylmethyl]benzoic acid Openeye Name: 4-[(6-phenylpyrimidin-4-yl)sulfanylmethyl]benzoic acid CAS Name: 4-[[(6-phenyl-4-pyrimidinyl)thio]methyl]benzoic acid IUPAC Name: 4-[(6-phenylpyrimidin-4-yl)sulfanylmethyl]benzoic acid Traditional Name: 4-[[(6-phenylpyrimidin-4-yl)thio]methyl]benzoic acid Formula: C18H14N2O2S MolecularWeight: 322.38096

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC=N2)SCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC=N2)SCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C18H14N2O2S/c21-18(22)15-8-6-13(7-9-15)11-23-17-10-16(19-12-20-17)14-4-2-1-3-5-14/h1-10,12H,11H2,(H,21,22)