methyl 2-[5-[4,5-dihydro-3H-pyridazin-2-ylcarbothioyl(fluoranyl)amino]-2-nitro-phenyl]sulfanylethanoate

Systemtic Name: methyl 2-[5-[4,5-dihydro-3H-pyridazin-2-ylcarbothioyl(fluoranyl)amino]-2-nitro-phenyl]sulfanylethanoate Openeye Name: methyl 2-[5-[4,5-dihydro-3H-pyridazine-2-carbothioyl(fluoro)amino]-2-nitro-phenyl]sulfanylacetate CAS Name: 2-[[5-[[4,5-dihydro-3H-pyridazin-2-yl(sulfanylidene)methyl]-fluoroamino]-2-nitrophenyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[5-[4,5-dihydro-3H-pyridazine-2-carbothioyl(fluoro)amino]-2-nitrophenyl]sulfanylacetate Traditional Name: 2-[[5-[4,5-dihydro-3H-pyridazine-2-carbothioyl(fluoro)amino]-2-nitro-phenyl]thio]acetic acid methyl ester Formula: C14H15FN4O4S2 MolecularWeight: 386.421703

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=C(C=CC(=C1)N(C(=S)N2CCCC=N2)F)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CSC1=C(C=CC(=C1)N(C(=S)N2CCCC=N2)F)[N+](=O)[O-]

InChI

InChI=1S/C14H15FN4O4S2/c1-23-13(20)9-25-12-8-10(4-5-11(12)19(21)22)18(15)14(24)17-7-3-2-6-16-17/h4-6,8H,2-3,7,9H2,1H3