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

Systemtic Name: 7-chloranyl-5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4-nitro-2,1,3-benzothiadiazole Openeye Name: 7-chloro-5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4-nitro-2,1,3-benzothiadiazole CAS Name: 7-chloro-5-[(4,6-dimethyl-2-pyrimidinyl)thio]-4-nitro-2,1,3-benzothiadiazole IUPAC Name: 7-chloro-5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4-nitro-2,1,3-benzothiadiazole Traditional Name: 7-chloro-5-[(4,6-dimethylpyrimidin-2-yl)thio]-4-nitro-piazthiole Formula: C12H8ClN5O2S2 MolecularWeight: 353.80722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H8ClN5O2S2/c1-5-3-6(2)15-12(14-5)21-8-4-7(13)9-10(17-22-16-9)11(8)18(19)20/h3-4H,1-2H3