2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-iodanyl-3-nitro-phenyl)ethanone

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-iodanyl-3-nitro-phenyl)ethanone Openeye Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-iodo-3-nitro-phenyl)ethanone CAS Name: 2-(1H-benzimidazol-2-ylthio)-1-(4-iodo-3-nitrophenyl)ethanone IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-iodo-3-nitrophenyl)ethanone Traditional Name: 2-(1H-benzimidazol-2-ylthio)-1-(4-iodo-3-nitro-phenyl)ethanone Formula: C15H10IN3O3S MolecularWeight: 439.22767

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)SCC(=O)C3=CC(=C(C=C3)I)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)SCC(=O)C3=CC(=C(C=C3)I)[N+](=O)[O-]

InChI

InChI=1S/C15H10IN3O3S/c16-10-6-5-9(7-13(10)19(21)22)14(20)8-23-15-17-11-3-1-2-4-12(11)18-15/h1-7H,8H2,(H,17,18)