2-iodanyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-5-nitro-benzamide

Systemtic Name: 2-iodanyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-5-nitro-benzamide Openeye Name: 2-iodo-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-5-nitro-benzamide CAS Name: 2-iodo-N-[2-(methylthio)-1,3-benzothiazol-6-yl]-5-nitrobenzamide IUPAC Name: 2-iodo-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-5-nitrobenzamide Traditional Name: 2-iodo-N-[2-(methylthio)-1,3-benzothiazol-6-yl]-5-nitro-benzamide Formula: C15H10IN3O3S2 MolecularWeight: 471.29267

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])I

Isomeric SMILES

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])I

InChI

InChI=1S/C15H10IN3O3S2/c1-23-15-18-12-5-2-8(6-13(12)24-15)17-14(20)10-7-9(19(21)22)3-4-11(10)16/h2-7H,1H3,(H,17,20)