2-(1,3-benzothiazol-2-yl)-1-nitro-guanidine

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-1-nitro-guanidine Openeye Name: 2-(1,3-benzothiazol-2-yl)-1-nitro-guanidine CAS Name: 2-(1,3-benzothiazol-2-yl)-1-nitroguanidine IUPAC Name: 2-(1,3-benzothiazol-2-yl)-1-nitroguanidine Traditional Name: 2-(1,3-benzothiazol-2-yl)-1-nitro-guanidine Formula: C8H7N5O2S MolecularWeight: 237.23848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)/N=C(/N)\N[N+](=O)[O-]

InChI

InChI=1S/C8H7N5O2S/c9-7(12-13(14)15)11-8-10-5-3-1-2-4-6(5)16-8/h1-4H,(H3,9,10,11,12)