4-[(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylmethyl]benzoic acid

Systemtic Name: 4-[(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylmethyl]benzoic acid Openeye Name: 4-[(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylmethyl]benzoic acid CAS Name: 4-[[(4-methyl-6-phenyl-2-pyrimidinyl)thio]methyl]benzoic acid IUPAC Name: 4-[(4-methyl-6-phenylpyrimidin-2-yl)sulfanylmethyl]benzoic acid Traditional Name: 4-[[(4-methyl-6-phenyl-pyrimidin-2-yl)thio]methyl]benzoic acid Formula: C19H16N2O2S MolecularWeight: 336.40754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C19H16N2O2S/c1-13-11-17(15-5-3-2-4-6-15)21-19(20-13)24-12-14-7-9-16(10-8-14)18(22)23/h2-11H,12H2,1H3,(H,22,23)