[2-[(5-chloranyl-3-oxidanylidene-2-phenyl-pyridazin-4-yl)amino]-2-oxidanylidene-ethyl] thiocyanate

Systemtic Name: [2-[(5-chloranyl-3-oxidanylidene-2-phenyl-pyridazin-4-yl)amino]-2-oxidanylidene-ethyl] thiocyanate Openeye Name: [2-[(5-chloro-3-oxo-2-phenyl-pyridazin-4-yl)amino]-2-oxo-ethyl] thiocyanate CAS Name: thiocyanic acid [2-[(5-chloro-3-oxo-2-phenyl-4-pyridazinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-chloro-3-oxo-2-phenylpyridazin-4-yl)amino]-2-oxoethyl] thiocyanate Traditional Name: thiocyanic acid [2-[(5-chloro-3-keto-2-phenyl-pyridazin-4-yl)amino]-2-keto-ethyl] ester Formula: C13H9ClN4O2S MolecularWeight: 320.75416

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C(=C(C=N2)Cl)NC(=O)CSC#N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C(=C(C=N2)Cl)NC(=O)CSC#N

InChI

InChI=1S/C13H9ClN4O2S/c14-10-6-16-18(9-4-2-1-3-5-9)13(20)12(10)17-11(19)7-21-8-15/h1-6H,7H2,(H,17,19)