5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4-nitro-2,1,3-benzothiadiazole

Systemtic Name: 5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4-nitro-2,1,3-benzothiadiazole Openeye Name: 5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4-nitro-2,1,3-benzothiadiazole CAS Name: 5-[(4,6-dimethyl-2-pyrimidinyl)thio]-4-nitro-2,1,3-benzothiadiazole IUPAC Name: 5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4-nitro-2,1,3-benzothiadiazole Traditional Name: 5-[(4,6-dimethylpyrimidin-2-yl)thio]-4-nitro-piazthiole Formula: C12H9N5O2S2 MolecularWeight: 319.36216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=C(C3=NSN=C3C=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=C(C3=NSN=C3C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C12H9N5O2S2/c1-6-5-7(2)14-12(13-6)20-9-4-3-8-10(16-21-15-8)11(9)17(18)19/h3-5H,1-2H3