2-[4-(4-ethylsulfanylphenyl)-3,5-dimethyl-pyrazol-1-yl]ethanoate

Systemtic Name: 2-[4-(4-ethylsulfanylphenyl)-3,5-dimethyl-pyrazol-1-yl]ethanoate Openeye Name: 2-[4-(4-ethylsulfanylphenyl)-3,5-dimethyl-pyrazol-1-yl]acetate CAS Name: 2-[4-[4-(ethylthio)phenyl]-3,5-dimethyl-1-pyrazolyl]acetate IUPAC Name: 2-[4-(4-ethylsulfanylphenyl)-3,5-dimethylpyrazol-1-yl]acetate Traditional Name: 2-[4-[4-(ethylthio)phenyl]-3,5-dimethyl-pyrazol-1-yl]acetate Formula: C15H17N2O2S- MolecularWeight: 289.37268

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=C(C=C1)C2=C(N(N=C2C)CC(=O)[O-])C

Isomeric SMILES

CCSC1=CC=C(C=C1)C2=C(N(N=C2C)CC(=O)[O-])C

InChI

InChI=1S/C15H18N2O2S/c1-4-20-13-7-5-12(6-8-13)15-10(2)16-17(11(15)3)9-14(18)19/h5-8H,4,9H2,1-3H3,(H,18,19)/p-1