7-bromanyl-4-[(2-cyclohexyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-5-nitro-2,1,3-benzothiadiazole

Systemtic Name: 7-bromanyl-4-[(2-cyclohexyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-5-nitro-2,1,3-benzothiadiazole Openeye Name: 7-bromo-4-(2-cyclohexyltetrazol-5-yl)sulfanyl-5-nitro-2,1,3-benzothiadiazole CAS Name: 7-bromo-4-[(2-cyclohexyl-5-tetrazolyl)thio]-5-nitro-2,1,3-benzothiadiazole IUPAC Name: 7-bromo-4-(2-cyclohexyltetrazol-5-yl)sulfanyl-5-nitro-2,1,3-benzothiadiazole Traditional Name: 7-bromo-4-[(2-cyclohexyltetrazol-5-yl)thio]-5-nitro-piazthiole Formula: C13H12BrN7O2S2 MolecularWeight: 442.31408

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2N=C(N=N2)SC3=C(C=C(C4=NSN=C34)Br)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)N2N=C(N=N2)SC3=C(C=C(C4=NSN=C34)Br)[N+](=O)[O-]

InChI

InChI=1S/C13H12BrN7O2S2/c14-8-6-9(21(22)23)12(11-10(8)17-25-18-11)24-13-15-19-20(16-13)7-4-2-1-3-5-7/h6-7H,1-5H2