2-(4,6-diphenylpyrimidin-2-yl)sulfanylethanoic acid

Systemtic Name: 2-(4,6-diphenylpyrimidin-2-yl)sulfanylethanoic acid Openeye Name: 2-(4,6-diphenylpyrimidin-2-yl)sulfanylacetic acid CAS Name: 2-[(4,6-diphenyl-2-pyrimidinyl)thio]acetic acid IUPAC Name: 2-(4,6-diphenylpyrimidin-2-yl)sulfanylacetic acid Traditional Name: 2-[(4,6-diphenylpyrimidin-2-yl)thio]acetic 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)SCC(=O)O)C3=CC=CC=C3

Isomeric SMILES

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

InChI

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