2-[(6-nitro-1H-benzimidazol-3-ium-2-yl)methylsulfanyl]-1,3-benzoxazole

Systemtic Name: 2-[(6-nitro-1H-benzimidazol-3-ium-2-yl)methylsulfanyl]-1,3-benzoxazole Openeye Name: 2-[(6-nitro-1H-benzimidazol-3-ium-2-yl)methylsulfanyl]-1,3-benzoxazole CAS Name: 2-[(6-nitro-1H-benzimidazol-3-ium-2-yl)methylthio]-1,3-benzoxazole IUPAC Name: 2-[(6-nitro-1H-benzimidazol-3-ium-2-yl)methylsulfanyl]-1,3-benzoxazole Traditional Name: 2-[(6-nitro-1H-benzimidazol-3-ium-2-yl)methylthio]-1,3-benzoxazole Formula: C15H11N4O3S+ MolecularWeight: 327.33784

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)SCC3=[NH+]C4=C(N3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)SCC3=[NH+]C4=C(N3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C15H10N4O3S/c20-19(21)9-5-6-10-12(7-9)17-14(16-10)8-23-15-18-11-3-1-2-4-13(11)22-15/h1-7H,8H2,(H,16,17)/p+1