(1-phenylpyrazol-4-yl)methyl 2-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: (1-phenylpyrazol-4-yl)methyl 2-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]benzoate Openeye Name: (1-phenylpyrazol-4-yl)methyl 2-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 2-[[2-[(1-methyl-2-imidazolyl)thio]-1-oxoethyl]amino]benzoic acid (1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (1-phenylpyrazol-4-yl)methyl 2-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[(1-methylimidazol-2-yl)thio]acetyl]amino]benzoic acid (1-phenylpyrazol-4-yl)methyl ester Formula: C23H21N5O3S MolecularWeight: 447.50954

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC(=O)NC2=CC=CC=C2C(=O)OCC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

CN1C=CN=C1SCC(=O)NC2=CC=CC=C2C(=O)OCC3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H21N5O3S/c1-27-12-11-24-23(27)32-16-21(29)26-20-10-6-5-9-19(20)22(30)31-15-17-13-25-28(14-17)18-7-3-2-4-8-18/h2-14H,15-16H2,1H3,(H,26,29)