[3-[4,5-bis(chloranyl)-6-oxidanylidene-pyridazin-1-yl]-2-oxidanylidene-propyl] carbamimidothioate

Systemtic Name: [3-[4,5-bis(chloranyl)-6-oxidanylidene-pyridazin-1-yl]-2-oxidanylidene-propyl] carbamimidothioate Openeye Name: 2-[3-(4,5-dichloro-6-oxo-pyridazin-1-yl)-2-oxo-propyl]isothiourea CAS Name: carbamimidothioic acid [3-(4,5-dichloro-6-oxo-1-pyridazinyl)-2-oxopropyl] ester IUPAC Name: [3-(4,5-dichloro-6-oxopyridazin-1-yl)-2-oxopropyl] carbamimidothioate Traditional Name: 2-[3-(4,5-dichloro-6-keto-pyridazin-1-yl)-2-keto-propyl]isothiourea Formula: C8H8Cl2N4O2S MolecularWeight: 295.14572

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Descriptors Computed from Structure

Canonical SMILES:

C1=NN(C(=O)C(=C1Cl)Cl)CC(=O)CSC(=N)N

Isomeric SMILES

C1=NN(C(=O)C(=C1Cl)Cl)CC(=O)CSC(=N)N

InChI

InChI=1S/C8H8Cl2N4O2S/c9-5-1-13-14(7(16)6(5)10)2-4(15)3-17-8(11)12/h1H,2-3H2,(H3,11,12)