ethyl 2-[4-chloranyl-1-(diethylcarbamoyl)pyrazol-3-yl]sulfanylbenzoate

Systemtic Name: ethyl 2-[4-chloranyl-1-(diethylcarbamoyl)pyrazol-3-yl]sulfanylbenzoate Openeye Name: ethyl 2-[4-chloro-1-(diethylcarbamoyl)pyrazol-3-yl]sulfanylbenzoate CAS Name: 2-[[4-chloro-1-[diethylamino(oxo)methyl]-3-pyrazolyl]thio]benzoic acid ethyl ester IUPAC Name: ethyl 2-[4-chloro-1-(diethylcarbamoyl)pyrazol-3-yl]sulfanylbenzoate Traditional Name: 2-[[4-chloro-1-(diethylcarbamoyl)pyrazol-3-yl]thio]benzoic acid ethyl ester Formula: C17H20ClN3O3S MolecularWeight: 381.877

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)N1C=C(C(=N1)SC2=CC=CC=C2C(=O)OCC)Cl

Isomeric SMILES

CCN(CC)C(=O)N1C=C(C(=N1)SC2=CC=CC=C2C(=O)OCC)Cl

InChI

InChI=1S/C17H20ClN3O3S/c1-4-20(5-2)17(23)21-11-13(18)15(19-21)25-14-10-8-7-9-12(14)16(22)24-6-3/h7-11H,4-6H2,1-3H3