dimethyl 5-[3-[1-(6-tert-butyl-7-chloranyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)ethylsulfinamoyloxy]-4-methyl-phenyl]sulfinamoyloxybenzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[3-[1-(6-tert-butyl-7-chloranyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)ethylsulfinamoyloxy]-4-methyl-phenyl]sulfinamoyloxybenzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[3-[1-(6-tert-butyl-7-chloro-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)ethylsulfinamoyloxy]-4-methyl-phenyl]sulfinamoyloxybenzene-1,3-dicarboxylate CAS Name: 5-[3-[1-(6-tert-butyl-7-chloro-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)ethylsulfinamoyloxy]-4-methylphenyl]sulfinamoyloxybenzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[3-[1-(6-tert-butyl-7-chloro-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)ethylsulfinamoyloxy]-4-methylphenyl]sulfinamoyloxybenzene-1,3-dicarboxylate Traditional Name: 5-[3-[1-(6-tert-butyl-7-chloro-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)ethylsulfinamoyloxy]-4-methyl-phenyl]sulfinamoyloxybenzene-1,3-dicarboxylic acid dimethyl ester Formula: C27H31ClN6O8S2 MolecularWeight: 667.15344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NS(=O)OC2=CC(=CC(=C2)C(=O)OC)C(=O)OC)OS(=O)NC(C)C3=NN=C4N3NC(=C4Cl)C(C)(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)NS(=O)OC2=CC(=CC(=C2)C(=O)OC)C(=O)OC)OS(=O)NC(C)C3=NN=C4N3NC(=C4Cl)C(C)(C)C

InChI

InChI=1S/C27H31ClN6O8S2/c1-14-8-9-18(33-44(38)41-19-11-16(25(35)39-6)10-17(12-19)26(36)40-7)13-20(14)42-43(37)32-15(2)23-29-30-24-21(28)22(27(3,4)5)31-34(23)24/h8-13,15,31-33H,1-7H3