2-[(4-cyano-3-methylsulfanyl-1H-pyrazol-5-yl)amino]-2-[4-(hydroxymethyl)furan-2-yl]ethanoic acid

Systemtic Name: 2-[(4-cyano-3-methylsulfanyl-1H-pyrazol-5-yl)amino]-2-[4-(hydroxymethyl)furan-2-yl]ethanoic acid Openeye Name: 2-[(4-cyano-3-methylsulfanyl-1H-pyrazol-5-yl)amino]-2-[4-(hydroxymethyl)-2-furyl]acetic acid CAS Name: 2-[[4-cyano-3-(methylthio)-1H-pyrazol-5-yl]amino]-2-[4-(hydroxymethyl)-2-furanyl]acetic acid IUPAC Name: 2-[(4-cyano-3-methylsulfanyl-1H-pyrazol-5-yl)amino]-2-[4-(hydroxymethyl)furan-2-yl]acetic acid Traditional Name: 2-[[4-cyano-3-(methylthio)-1H-pyrazol-5-yl]amino]-2-(4-methylol-2-furyl)acetic acid Formula: C12H12N4O4S MolecularWeight: 308.31308

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NNC(=C1C#N)NC(C2=CC(=CO2)CO)C(=O)O

Isomeric SMILES

CSC1=NNC(=C1C#N)NC(C2=CC(=CO2)CO)C(=O)O

InChI

InChI=1S/C12H12N4O4S/c1-21-11-7(3-13)10(15-16-11)14-9(12(18)19)8-2-6(4-17)5-20-8/h2,5,9,17H,4H2,1H3,(H,18,19)(H2,14,15,16)