N-[3-(1,3-benzothiazol-2-ylsulfanyl)-5-nitro-phenyl]-2,3,5-tris(iodanyl)benzamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-ylsulfanyl)-5-nitro-phenyl]-2,3,5-tris(iodanyl)benzamide Openeye Name: N-[3-(1,3-benzothiazol-2-ylsulfanyl)-5-nitro-phenyl]-2,3,5-triiodo-benzamide CAS Name: N-[3-(1,3-benzothiazol-2-ylthio)-5-nitrophenyl]-2,3,5-triiodobenzamide IUPAC Name: N-[3-(1,3-benzothiazol-2-ylsulfanyl)-5-nitrophenyl]-2,3,5-triiodobenzamide Traditional Name: N-[3-(1,3-benzothiazol-2-ylthio)-5-nitro-phenyl]-2,3,5-triiodo-benzamide Formula: C20H10I3N3O3S2 MolecularWeight: 785.15511

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SC3=CC(=CC(=C3)[N+](=O)[O-])NC(=O)C4=CC(=CC(=C4I)I)I

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SC3=CC(=CC(=C3)[N+](=O)[O-])NC(=O)C4=CC(=CC(=C4I)I)I

InChI

InChI=1S/C20H10I3N3O3S2/c21-10-5-14(18(23)15(22)6-10)19(27)24-11-7-12(26(28)29)9-13(8-11)30-20-25-16-3-1-2-4-17(16)31-20/h1-9H,(H,24,27)