2-[(6-nitro-1H-benzimidazol-3-ium-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine

Systemtic Name: 2-[(6-nitro-1H-benzimidazol-3-ium-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine Openeye Name: 2-[(6-nitro-1H-benzimidazol-3-ium-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine CAS Name: 2-[[(6-nitro-1H-benzimidazol-3-ium-2-yl)thio]methyl]imidazo[1,2-a]pyrimidine IUPAC Name: 2-[(6-nitro-1H-benzimidazol-3-ium-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine Traditional Name: 2-[[(6-nitro-1H-benzimidazol-3-ium-2-yl)thio]methyl]imidazo[1,2-a]pyrimidine Formula: C14H11N6O2S+ MolecularWeight: 327.34114

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN2C=C(N=C2N=C1)CSC3=[NH+]C4=C(N3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CN2C=C(N=C2N=C1)CSC3=[NH+]C4=C(N3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C14H10N6O2S/c21-20(22)10-2-3-11-12(6-10)18-14(17-11)23-8-9-7-19-5-1-4-15-13(19)16-9/h1-7H,8H2,(H,17,18)/p+1