ethyl 1-(diethylcarbamoyl)-3-(2,6-diethylphenyl)sulfanyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 1-(diethylcarbamoyl)-3-(2,6-diethylphenyl)sulfanyl-pyrazole-4-carboxylate Openeye Name: ethyl 1-(diethylcarbamoyl)-3-(2,6-diethylphenyl)sulfanyl-pyrazole-4-carboxylate CAS Name: 1-[diethylamino(oxo)methyl]-3-[(2,6-diethylphenyl)thio]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(diethylcarbamoyl)-3-(2,6-diethylphenyl)sulfanylpyrazole-4-carboxylate Traditional Name: 1-(diethylcarbamoyl)-3-[(2,6-diethylphenyl)thio]pyrazole-4-carboxylic acid ethyl ester Formula: C21H29N3O3S MolecularWeight: 403.53826

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)SC2=NN(C=C2C(=O)OCC)C(=O)N(CC)CC

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)SC2=NN(C=C2C(=O)OCC)C(=O)N(CC)CC

InChI

InChI=1S/C21H29N3O3S/c1-6-15-12-11-13-16(7-2)18(15)28-19-17(20(25)27-10-5)14-24(22-19)21(26)23(8-3)9-4/h11-14H,6-10H2,1-5H3