S-[4-(2,4-dichlorophenyl)carbonyl-2,5-dimethyl-pyrazol-3-yl] ethanethioate

Systemtic Name: S-[4-(2,4-dichlorophenyl)carbonyl-2,5-dimethyl-pyrazol-3-yl] ethanethioate Openeye Name: S-[4-(2,4-dichlorobenzoyl)-2,5-dimethyl-pyrazol-3-yl] ethanethioate CAS Name: ethanethioic acid S-[4-[(2,4-dichlorophenyl)-oxomethyl]-2,5-dimethyl-3-pyrazolyl] ester IUPAC Name: S-[4-(2,4-dichlorobenzoyl)-2,5-dimethylpyrazol-3-yl] ethanethioate Traditional Name: ethanethioic acid S-[4-(2,4-dichlorobenzoyl)-2,5-dimethyl-pyrazol-3-yl] ester Formula: C14H12Cl2N2O2S MolecularWeight: 343.22828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)C2=C(C=C(C=C2)Cl)Cl)SC(=O)C)C

Isomeric SMILES

CC1=NN(C(=C1C(=O)C2=C(C=C(C=C2)Cl)Cl)SC(=O)C)C

InChI

InChI=1S/C14H12Cl2N2O2S/c1-7-12(14(18(3)17-7)21-8(2)19)13(20)10-5-4-9(15)6-11(10)16/h4-6H,1-3H3