methyl 4-[2-(2-phenylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylethanoylamino]benzoate

Systemtic Name: methyl 4-[2-(2-phenylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-(2-phenylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[(2-phenyl-4-pyrazolo[1,5-a]pyrazinyl)thio]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(2-phenylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(2-phenylpyrazolo[1,5-a]pyrazin-4-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C22H18N4O3S MolecularWeight: 418.46832

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC=CN3C2=CC(=N3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC=CN3C2=CC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C22H18N4O3S/c1-29-22(28)16-7-9-17(10-8-16)24-20(27)14-30-21-19-13-18(15-5-3-2-4-6-15)25-26(19)12-11-23-21/h2-13H,14H2,1H3,(H,24,27)