N',N'-diethyl-N-(4-nitro-2,1,3-benzothiadiazol-5-yl)ethane-1,2-diamine

Systemtic Name: N',N'-diethyl-N-(4-nitro-2,1,3-benzothiadiazol-5-yl)ethane-1,2-diamine Openeye Name: N',N'-diethyl-N-(4-nitro-2,1,3-benzothiadiazol-5-yl)ethane-1,2-diamine CAS Name: N',N'-diethyl-N-(4-nitro-2,1,3-benzothiadiazol-5-yl)ethane-1,2-diamine IUPAC Name: N',N'-diethyl-N-(4-nitro-2,1,3-benzothiadiazol-5-yl)ethane-1,2-diamine Traditional Name: diethyl-[2-[(4-nitropiazthiol-5-yl)amino]ethyl]amine Formula: C12H17N5O2S MolecularWeight: 295.36068

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=C(C2=NSN=C2C=C1)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)CCNC1=C(C2=NSN=C2C=C1)[N+](=O)[O-]

InChI

InChI=1S/C12H17N5O2S/c1-3-16(4-2)8-7-13-10-6-5-9-11(15-20-14-9)12(10)17(18)19/h5-6,13H,3-4,7-8H2,1-2H3