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

Systemtic Name: N'-(1,3-benzothiazol-2-yl)-N-(4-nitro-1H-imidazol-5-yl)ethane-1,2-diamine Openeye Name: N'-(1,3-benzothiazol-2-yl)-N-(4-nitro-1H-imidazol-5-yl)ethane-1,2-diamine CAS Name: N'-(1,3-benzothiazol-2-yl)-N-(4-nitro-1H-imidazol-5-yl)ethane-1,2-diamine IUPAC Name: N'-(1,3-benzothiazol-2-yl)-N-(4-nitro-1H-imidazol-5-yl)ethane-1,2-diamine Traditional Name: 1,3-benzothiazol-2-yl-[2-[(4-nitro-1H-imidazol-5-yl)amino]ethyl]amine Formula: C12H12N6O2S MolecularWeight: 304.32768

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)NCCNC3=C(N=CN3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)NCCNC3=C(N=CN3)[N+](=O)[O-]

InChI

InChI=1S/C12H12N6O2S/c19-18(20)11-10(15-7-16-11)13-5-6-14-12-17-8-3-1-2-4-9(8)21-12/h1-4,7,13H,5-6H2,(H,14,17)(H,15,16)