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

Systemtic Name: [2-[1-(3,4-dichlorophenyl)ethyl]-5-methyl-4-phenyl-pyrazol-3-yl] thiane-2-carboxylate Openeye Name: [2-[1-(3,4-dichlorophenyl)ethyl]-5-methyl-4-phenyl-pyrazol-3-yl] tetrahydrothiopyran-2-carboxylate CAS Name: 2-thianecarboxylic acid [2-[1-(3,4-dichlorophenyl)ethyl]-5-methyl-4-phenyl-3-pyrazolyl] ester IUPAC Name: [2-[1-(3,4-dichlorophenyl)ethyl]-5-methyl-4-phenylpyrazol-3-yl] thiane-2-carboxylate Traditional Name: tetrahydrothiopyran-2-carboxylic acid [2-[1-(3,4-dichlorophenyl)ethyl]-5-methyl-4-phenyl-pyrazol-3-yl] ester Formula: C24H24Cl2N2O2S MolecularWeight: 475.43056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C2=CC=CC=C2)OC(=O)C3CCCCS3)C(C)C4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

CC1=NN(C(=C1C2=CC=CC=C2)OC(=O)C3CCCCS3)C(C)C4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C24H24Cl2N2O2S/c1-15-22(17-8-4-3-5-9-17)23(30-24(29)21-10-6-7-13-31-21)28(27-15)16(2)18-11-12-19(25)20(26)14-18/h3-5,8-9,11-12,14,16,21H,6-7,10,13H2,1-2H3