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4-(azepan-1-yl)-7-bromanyl-5-nitro-2,1,3-benzothiadiazole

4-(azepan-1-yl)-7-bromanyl-5-nitro-2,1,3-benzothiadiazole

Systemtic Name:4-(azepan-1-yl)-7-bromanyl-5-nitro-2,1,3-benzothiadiazole
Openeye Name:4-(azepan-1-yl)-7-bromo-5-nitro-2,1,3-benzothiadiazole
CAS Name:4-(1-azepanyl)-7-bromo-5-nitro-2,1,3-benzothiadiazole
IUPAC Name:4-(azepan-1-yl)-7-bromo-5-nitro-2,1,3-benzothiadiazole
Traditional Name:4-(azepan-1-yl)-7-bromo-5-nitro-piazthiole
Formula: C12H13BrN4O2S
MolecularWeight: 357.22622
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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C3=NSN=C23)Br)[N+](=O)[O-]


Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C3=NSN=C23)Br)[N+](=O)[O-]


InChI

InChI=1S/C12H13BrN4O2S/c13-8-7-9(17(18)19)12(11-10(8)14-20-15-11)16-5-3-1-2-4-6-16/h7H,1-6H2


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