3-(4-ethylsulfanylphenyl)-1H-pyrazole-5-carboxylic acid

Systemtic Name: 3-(4-ethylsulfanylphenyl)-1H-pyrazole-5-carboxylic acid Openeye Name: 3-(4-ethylsulfanylphenyl)-1H-pyrazole-5-carboxylic acid CAS Name: 3-[4-(ethylthio)phenyl]-1H-pyrazole-5-carboxylic acid IUPAC Name: 3-(4-ethylsulfanylphenyl)-1H-pyrazole-5-carboxylic acid Traditional Name: 3-[4-(ethylthio)phenyl]-1H-pyrazole-5-carboxylic acid Formula: C12H12N2O2S MolecularWeight: 248.30088

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=C(C=C1)C2=NNC(=C2)C(=O)O

Isomeric SMILES

CCSC1=CC=C(C=C1)C2=NNC(=C2)C(=O)O

InChI

InChI=1S/C12H12N2O2S/c1-2-17-9-5-3-8(4-6-9)10-7-11(12(15)16)14-13-10/h3-7H,2H2,1H3,(H,13,14)(H,15,16)