2-(5-phenylpyrimidin-2-yl)ethanethioic S-acid

Systemtic Name: 2-(5-phenylpyrimidin-2-yl)ethanethioic S-acid Openeye Name: 2-(5-phenylpyrimidin-2-yl)ethanethioic S-acid CAS Name: 2-(5-phenyl-2-pyrimidinyl)ethanethioic S-acid IUPAC Name: 2-(5-phenylpyrimidin-2-yl)ethanethioic S-acid Traditional Name: 2-(5-phenylpyrimidin-2-yl)thioacetic acid Formula: C12H10N2OS MolecularWeight: 230.2856

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CN=C(N=C2)CC(=O)S

Isomeric SMILES

C1=CC=C(C=C1)C2=CN=C(N=C2)CC(=O)S

InChI

InChI=1S/C12H10N2OS/c15-12(16)6-11-13-7-10(8-14-11)9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H,15,16)