N'-(4-nitro-1,3-benzothiazol-5-yl)propane-1,3-diamine

Systemtic Name: N'-(4-nitro-1,3-benzothiazol-5-yl)propane-1,3-diamine Openeye Name: N'-(4-nitro-1,3-benzothiazol-5-yl)propane-1,3-diamine CAS Name: N'-(4-nitro-1,3-benzothiazol-5-yl)propane-1,3-diamine IUPAC Name: N'-(4-nitro-1,3-benzothiazol-5-yl)propane-1,3-diamine Traditional Name: 3-aminopropyl-(4-nitro-1,3-benzothiazol-5-yl)amine Formula: C10H12N4O2S MolecularWeight: 252.29288

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1NCCCN)[N+](=O)[O-])N=CS2

Isomeric SMILES

C1=CC2=C(C(=C1NCCCN)[N+](=O)[O-])N=CS2

InChI

InChI=1S/C10H12N4O2S/c11-4-1-5-12-7-2-3-8-9(13-6-17-8)10(7)14(15)16/h2-3,6,12H,1,4-5,11H2