ethyl 1-(4-azanylsulfanylperoxyphenyl)-8-fluoranyl-4H-chromeno[4,3-c]pyrazole-3-carboxylate

Systemtic Name: ethyl 1-(4-azanylsulfanylperoxyphenyl)-8-fluoranyl-4H-chromeno[4,3-c]pyrazole-3-carboxylate Openeye Name: ethyl 1-(4-aminosulfanylperoxyphenyl)-8-fluoro-4H-chromeno[4,3-c]pyrazole-3-carboxylate CAS Name: 1-[4-(aminothio)dioxyphenyl]-8-fluoro-4H-[1]benzopyrano[4,3-c]pyrazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-aminosulfanylperoxyphenyl)-8-fluoro-4H-chromeno[4,3-c]pyrazole-3-carboxylate Traditional Name: 1-[4-(aminothio)peroxyphenyl]-8-fluoro-4H-chromeno[4,3-c]pyrazole-3-carboxylic acid ethyl ester Formula: C19H16FN3O5S MolecularWeight: 417.410843

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C2=C1COC3=C2C=C(C=C3)F)C4=CC=C(C=C4)OOSN

Isomeric SMILES

CCOC(=O)C1=NN(C2=C1COC3=C2C=C(C=C3)F)C4=CC=C(C=C4)OOSN

InChI

InChI=1S/C19H16FN3O5S/c1-2-25-19(24)17-15-10-26-16-8-3-11(20)9-14(16)18(15)23(22-17)12-4-6-13(7-5-12)27-28-29-21/h3-9H,2,10,21H2,1H3