2-[3-(3-iodanyl-1-methyl-indazol-6-yl)sulfanylphenyl]isoindole-1,3-dione

Systemtic Name: 2-[3-(3-iodanyl-1-methyl-indazol-6-yl)sulfanylphenyl]isoindole-1,3-dione Openeye Name: 2-[3-(3-iodo-1-methyl-indazol-6-yl)sulfanylphenyl]isoindoline-1,3-dione CAS Name: 2-[3-[(3-iodo-1-methyl-6-indazolyl)thio]phenyl]isoindole-1,3-dione IUPAC Name: 2-[3-(3-iodo-1-methylindazol-6-yl)sulfanylphenyl]isoindole-1,3-dione Traditional Name: 2-[3-[(3-iodo-1-methyl-indazol-6-yl)thio]phenyl]isoindoline-1,3-quinone Formula: C22H14IN3O2S MolecularWeight: 511.33493

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2)SC3=CC=CC(=C3)N4C(=O)C5=CC=CC=C5C4=O)C(=N1)I

Isomeric SMILES

CN1C2=C(C=CC(=C2)SC3=CC=CC(=C3)N4C(=O)C5=CC=CC=C5C4=O)C(=N1)I

InChI

InChI=1S/C22H14IN3O2S/c1-25-19-12-15(9-10-18(19)20(23)24-25)29-14-6-4-5-13(11-14)26-21(27)16-7-2-3-8-17(16)22(26)28/h2-12H,1H3