2-[[4-cyano-1-(5-methylsulfonylpyridin-2-yl)-5-phenyl-pyrazol-3-yl]amino]ethanoic acid

Systemtic Name: 2-[[4-cyano-1-(5-methylsulfonylpyridin-2-yl)-5-phenyl-pyrazol-3-yl]amino]ethanoic acid Openeye Name: 2-[[4-cyano-1-(5-methylsulfonyl-2-pyridyl)-5-phenyl-pyrazol-3-yl]amino]acetic acid CAS Name: 2-[[4-cyano-1-(5-methylsulfonyl-2-pyridinyl)-5-phenyl-3-pyrazolyl]amino]acetic acid IUPAC Name: 2-[[4-cyano-1-(5-methylsulfonylpyridin-2-yl)-5-phenylpyrazol-3-yl]amino]acetic acid Traditional Name: 2-[[4-cyano-1-(5-mesyl-2-pyridyl)-5-phenyl-pyrazol-3-yl]amino]acetic acid Formula: C18H15N5O4S MolecularWeight: 397.4078

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CN=C(C=C1)N2C(=C(C(=N2)NCC(=O)O)C#N)C3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)C1=CN=C(C=C1)N2C(=C(C(=N2)NCC(=O)O)C#N)C3=CC=CC=C3

InChI

InChI=1S/C18H15N5O4S/c1-28(26,27)13-7-8-15(20-10-13)23-17(12-5-3-2-4-6-12)14(9-19)18(22-23)21-11-16(24)25/h2-8,10H,11H2,1H3,(H,21,22)(H,24,25)