5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2,1,3-benzoxadiazole

Systemtic Name: 5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2,1,3-benzoxadiazole Openeye Name: 5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2,1,3-benzoxadiazole CAS Name: 5-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-2,1,3-benzoxadiazole IUPAC Name: 5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2,1,3-benzoxadiazole Traditional Name: 5-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]benzofurazan Formula: C13H12N4OS MolecularWeight: 272.32558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC3=NON=C3C=C2)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC3=NON=C3C=C2)C

InChI

InChI=1S/C13H12N4OS/c1-8-5-9(2)15-13(14-8)19-7-10-3-4-11-12(6-10)17-18-16-11/h3-6H,7H2,1-2H3