ethyl 8-azanyl-1-(4-azanylsulfanylperoxyphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxylate

Systemtic Name: ethyl 8-azanyl-1-(4-azanylsulfanylperoxyphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxylate Openeye Name: ethyl 8-amino-1-(4-aminosulfanylperoxyphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxylate CAS Name: 8-amino-1-[4-(aminothio)dioxyphenyl]-4,5-dihydrobenzo[g]indazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 8-amino-1-(4-aminosulfanylperoxyphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxylate Traditional Name: 8-amino-1-[4-(aminothio)peroxyphenyl]-4,5-dihydrobenz[g]indazole-3-carboxylic acid ethyl ester Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C2=C1CCC3=C2C=C(C=C3)N)C4=CC=C(C=C4)OOSN

Isomeric SMILES

CCOC(=O)C1=NN(C2=C1CCC3=C2C=C(C=C3)N)C4=CC=C(C=C4)OOSN

InChI

InChI=1S/C20H20N4O4S/c1-2-26-20(25)18-16-10-4-12-3-5-13(21)11-17(12)19(16)24(23-18)14-6-8-15(9-7-14)27-28-29-22/h3,5-9,11H,2,4,10,21-22H2,1H3