N-(3-imidazol-1-ylpropyl)-4-nitro-1,3-benzothiazol-5-amine

Systemtic Name: N-(3-imidazol-1-ylpropyl)-4-nitro-1,3-benzothiazol-5-amine Openeye Name: N-(3-imidazol-1-ylpropyl)-4-nitro-1,3-benzothiazol-5-amine CAS Name: N-[3-(1-imidazolyl)propyl]-4-nitro-1,3-benzothiazol-5-amine IUPAC Name: N-(3-imidazol-1-ylpropyl)-4-nitro-1,3-benzothiazol-5-amine Traditional Name: 3-imidazol-1-ylpropyl-(4-nitro-1,3-benzothiazol-5-yl)amine Formula: C13H13N5O2S MolecularWeight: 303.33962

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1NCCCN3C=CN=C3)[N+](=O)[O-])N=CS2

Isomeric SMILES

C1=CC2=C(C(=C1NCCCN3C=CN=C3)[N+](=O)[O-])N=CS2

InChI

InChI=1S/C13H13N5O2S/c19-18(20)13-10(2-3-11-12(13)16-9-21-11)15-4-1-6-17-7-5-14-8-17/h2-3,5,7-9,15H,1,4,6H2