[2-[1-(3,4-dichlorophenyl)ethyl]-5-methyl-pyrazol-3-yl] thiane-2-carboxylate

Systemtic Name: [2-[1-(3,4-dichlorophenyl)ethyl]-5-methyl-pyrazol-3-yl] thiane-2-carboxylate Openeye Name: [2-[1-(3,4-dichlorophenyl)ethyl]-5-methyl-pyrazol-3-yl] tetrahydrothiopyran-2-carboxylate CAS Name: 2-thianecarboxylic acid [2-[1-(3,4-dichlorophenyl)ethyl]-5-methyl-3-pyrazolyl] ester IUPAC Name: [2-[1-(3,4-dichlorophenyl)ethyl]-5-methylpyrazol-3-yl] thiane-2-carboxylate Traditional Name: tetrahydrothiopyran-2-carboxylic acid [2-[1-(3,4-dichlorophenyl)ethyl]-5-methyl-pyrazol-3-yl] ester Formula: C18H20Cl2N2O2S MolecularWeight: 399.3346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)OC(=O)C2CCCCS2)C(C)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CC1=NN(C(=C1)OC(=O)C2CCCCS2)C(C)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C18H20Cl2N2O2S/c1-11-9-17(24-18(23)16-5-3-4-8-25-16)22(21-11)12(2)13-6-7-14(19)15(20)10-13/h6-7,9-10,12,16H,3-5,8H2,1-2H3