ethyl 1-(diethylcarbamoyl)-3-(2-ethyl-6-methyl-phenyl)sulfanyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 1-(diethylcarbamoyl)-3-(2-ethyl-6-methyl-phenyl)sulfanyl-pyrazole-4-carboxylate Openeye Name: ethyl 1-(diethylcarbamoyl)-3-(2-ethyl-6-methyl-phenyl)sulfanyl-pyrazole-4-carboxylate CAS Name: 1-[diethylamino(oxo)methyl]-3-[(2-ethyl-6-methylphenyl)thio]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(diethylcarbamoyl)-3-(2-ethyl-6-methylphenyl)sulfanylpyrazole-4-carboxylate Traditional Name: 1-(diethylcarbamoyl)-3-[(2-ethyl-6-methyl-phenyl)thio]pyrazole-4-carboxylic acid ethyl ester Formula: C20H27N3O3S MolecularWeight: 389.51168

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1SC2=NN(C=C2C(=O)OCC)C(=O)N(CC)CC)C

Isomeric SMILES

CCC1=CC=CC(=C1SC2=NN(C=C2C(=O)OCC)C(=O)N(CC)CC)C

InChI

InChI=1S/C20H27N3O3S/c1-6-15-12-10-11-14(5)17(15)27-18-16(19(24)26-9-4)13-23(21-18)20(25)22(7-2)8-3/h10-13H,6-9H2,1-5H3