2-(4-methyl-6-phenyl-pyrimidin-2-yl)ethanethioic S-acid

Systemtic Name: 2-(4-methyl-6-phenyl-pyrimidin-2-yl)ethanethioic S-acid Openeye Name: 2-(4-methyl-6-phenyl-pyrimidin-2-yl)ethanethioic S-acid CAS Name: 2-(4-methyl-6-phenyl-2-pyrimidinyl)ethanethioic S-acid IUPAC Name: 2-(4-methyl-6-phenylpyrimidin-2-yl)ethanethioic S-acid Traditional Name: 2-(4-methyl-6-phenyl-pyrimidin-2-yl)thioacetic acid Formula: C13H12N2OS MolecularWeight: 244.31218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2=CC=CC=C2)CC(=O)S

Isomeric SMILES

CC1=NC(=NC(=C1)C2=CC=CC=C2)CC(=O)S

InChI

InChI=1S/C13H12N2OS/c1-9-7-11(10-5-3-2-4-6-10)15-12(14-9)8-13(16)17/h2-7H,8H2,1H3,(H,16,17)