2-[2-[[2,6-bis(chloranyl)phenyl]methyl]-4-methanoyl-5-methyl-pyrazol-3-yl]sulfanylethanoate

Systemtic Name: 2-[2-[[2,6-bis(chloranyl)phenyl]methyl]-4-methanoyl-5-methyl-pyrazol-3-yl]sulfanylethanoate Openeye Name: 2-[2-[(2,6-dichlorophenyl)methyl]-4-formyl-5-methyl-pyrazol-3-yl]sulfanylacetate CAS Name: 2-[[2-[(2,6-dichlorophenyl)methyl]-4-formyl-5-methyl-3-pyrazolyl]thio]acetate IUPAC Name: 2-[2-[(2,6-dichlorophenyl)methyl]-4-formyl-5-methylpyrazol-3-yl]sulfanylacetate Traditional Name: 2-[[2-(2,6-dichlorobenzyl)-4-formyl-5-methyl-pyrazol-3-yl]thio]acetate Formula: C14H11Cl2N2O3S- MolecularWeight: 358.21974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=O)SCC(=O)[O-])CC2=C(C=CC=C2Cl)Cl

Isomeric SMILES

CC1=NN(C(=C1C=O)SCC(=O)[O-])CC2=C(C=CC=C2Cl)Cl

InChI

InChI=1S/C14H12Cl2N2O3S/c1-8-10(6-19)14(22-7-13(20)21)18(17-8)5-9-11(15)3-2-4-12(9)16/h2-4,6H,5,7H2,1H3,(H,20,21)/p-1