2-(4-iodanylpyrazol-1-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)ethanamide

Systemtic Name: 2-(4-iodanylpyrazol-1-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-(4-iodopyrazol-1-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-(4-iodo-1-pyrazolyl)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-(4-iodopyrazol-1-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-(4-iodopyrazol-1-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide Formula: C12H8IN5O3S MolecularWeight: 429.19309

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])SC(=N2)NC(=O)CN3C=C(C=N3)I

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])SC(=N2)NC(=O)CN3C=C(C=N3)I

InChI

InChI=1S/C12H8IN5O3S/c13-7-4-14-17(5-7)6-11(19)16-12-15-9-2-1-8(18(20)21)3-10(9)22-12/h1-5H,6H2,(H,15,16,19)