6-chloranyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1H-benzimidazole

Systemtic Name: 6-chloranyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1H-benzimidazole Openeye Name: 6-chloro-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1H-benzimidazole CAS Name: 6-chloro-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1H-benzimidazole IUPAC Name: 6-chloro-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1H-benzimidazole Traditional Name: 6-chloro-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1H-benzimidazole Formula: C16H12ClN3O4S MolecularWeight: 377.80218

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)CSC3=NC4=C(N3)C=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CSC3=NC4=C(N3)C=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H12ClN3O4S/c17-11-1-2-13-14(5-11)19-16(18-13)25-7-10-4-12(20(21)22)3-9-6-23-8-24-15(9)10/h1-5H,6-8H2,(H,18,19)