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

Systemtic Name: N',N'-diethyl-N-(4-nitro-1,3-benzothiazol-5-yl)ethane-1,2-diamine Openeye Name: N',N'-diethyl-N-(4-nitro-1,3-benzothiazol-5-yl)ethane-1,2-diamine CAS Name: N',N'-diethyl-N-(4-nitro-1,3-benzothiazol-5-yl)ethane-1,2-diamine IUPAC Name: N',N'-diethyl-N-(4-nitro-1,3-benzothiazol-5-yl)ethane-1,2-diamine Traditional Name: diethyl-[2-[(4-nitro-1,3-benzothiazol-5-yl)amino]ethyl]amine Formula: C13H18N4O2S MolecularWeight: 294.37262

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=C(C2=C(C=C1)SC=N2)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)CCNC1=C(C2=C(C=C1)SC=N2)[N+](=O)[O-]

InChI

InChI=1S/C13H18N4O2S/c1-3-16(4-2)8-7-14-10-5-6-11-12(15-9-20-11)13(10)17(18)19/h5-6,9,14H,3-4,7-8H2,1-2H3