2-[[5-[(4-chloranyl-3-methyl-pyrazol-1-yl)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[5-[(4-chloranyl-3-methyl-pyrazol-1-yl)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-[(4-chloro-3-methyl-pyrazol-1-yl)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-[(4-chloro-3-methyl-1-pyrazolyl)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-[(4-chloro-3-methylpyrazol-1-yl)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-[(4-chloro-3-methyl-pyrazol-1-yl)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]acetate Formula: C11H13ClN5O2S- MolecularWeight: 314.77122

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)[O-])CN2C=C(C(=N2)C)Cl

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)[O-])CN2C=C(C(=N2)C)Cl

InChI

InChI=1S/C11H14ClN5O2S/c1-3-17-9(5-16-4-8(12)7(2)15-16)13-14-11(17)20-6-10(18)19/h4H,3,5-6H2,1-2H3,(H,18,19)/p-1