methyl 4-[2-(4-methyl-1-phenyl-pyrazolo[3,4-d]pyridazin-7-yl)sulfanylethanoylamino]benzoate

Systemtic Name: methyl 4-[2-(4-methyl-1-phenyl-pyrazolo[3,4-d]pyridazin-7-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-(4-methyl-1-phenyl-pyrazolo[3,4-d]pyridazin-7-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[(4-methyl-1-phenyl-7-pyrazolo[3,4-d]pyridazinyl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(4-methyl-1-phenylpyrazolo[3,4-d]pyridazin-7-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(4-methyl-1-phenyl-pyrazolo[3,4-d]pyridazin-7-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C22H19N5O3S MolecularWeight: 433.48296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(C2=C1C=NN2C3=CC=CC=C3)SCC(=O)NC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CC1=NN=C(C2=C1C=NN2C3=CC=CC=C3)SCC(=O)NC4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C22H19N5O3S/c1-14-18-12-23-27(17-6-4-3-5-7-17)20(18)21(26-25-14)31-13-19(28)24-16-10-8-15(9-11-16)22(29)30-2/h3-12H,13H2,1-2H3,(H,24,28)