2-(1,3-benzothiazol-2-ylsulfanyl)-1-(4-iodanyl-3-nitro-phenyl)ethanone

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(4-iodanyl-3-nitro-phenyl)ethanone Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(4-iodo-3-nitro-phenyl)ethanone CAS Name: 2-(1,3-benzothiazol-2-ylthio)-1-(4-iodo-3-nitrophenyl)ethanone IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(4-iodo-3-nitrophenyl)ethanone Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-1-(4-iodo-3-nitro-phenyl)ethanone Formula: C15H9IN2O3S2 MolecularWeight: 456.27803

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCC(=O)C3=CC(=C(C=C3)I)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCC(=O)C3=CC(=C(C=C3)I)[N+](=O)[O-]

InChI

InChI=1S/C15H9IN2O3S2/c16-10-6-5-9(7-12(10)18(20)21)13(19)8-22-15-17-11-3-1-2-4-14(11)23-15/h1-7H,8H2