N-(3-imidazol-1-ylpropyl)-6-nitro-1,3-benzothiazol-2-amine

Systemtic Name: N-(3-imidazol-1-ylpropyl)-6-nitro-1,3-benzothiazol-2-amine Openeye Name: N-(3-imidazol-1-ylpropyl)-6-nitro-1,3-benzothiazol-2-amine CAS Name: N-[3-(1-imidazolyl)propyl]-6-nitro-1,3-benzothiazol-2-amine IUPAC Name: N-(3-imidazol-1-ylpropyl)-6-nitro-1,3-benzothiazol-2-amine Traditional Name: 3-imidazol-1-ylpropyl-(6-nitro-1,3-benzothiazol-2-yl)amine Formula: C13H13N5O2S MolecularWeight: 303.33962

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])SC(=N2)NCCCN3C=CN=C3

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])SC(=N2)NCCCN3C=CN=C3

InChI

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