2-[(6-chloranylpyridazin-3-yl)sulfanylmethyl]isoindole-1,3-dione

Systemtic Name: 2-[(6-chloranylpyridazin-3-yl)sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[(6-chloropyridazin-3-yl)sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[(6-chloro-3-pyridazinyl)thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[(6-chloropyridazin-3-yl)sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[(6-chloropyridazin-3-yl)thio]methyl]isoindoline-1,3-quinone Formula: C13H8ClN3O2S MolecularWeight: 305.73952

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CSC3=NN=C(C=C3)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CSC3=NN=C(C=C3)Cl

InChI

InChI=1S/C13H8ClN3O2S/c14-10-5-6-11(16-15-10)20-7-17-12(18)8-3-1-2-4-9(8)13(17)19/h1-6H,7H2