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

Systemtic Name: ethyl 3-[1-(diethylcarbamoyl)pyrazol-3-yl]sulfanylbenzoate Openeye Name: ethyl 3-[1-(diethylcarbamoyl)pyrazol-3-yl]sulfanylbenzoate CAS Name: 3-[[1-[diethylamino(oxo)methyl]-3-pyrazolyl]thio]benzoic acid ethyl ester IUPAC Name: ethyl 3-[1-(diethylcarbamoyl)pyrazol-3-yl]sulfanylbenzoate Traditional Name: 3-[[1-(diethylcarbamoyl)pyrazol-3-yl]thio]benzoic acid ethyl ester Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)N1C=CC(=N1)SC2=CC=CC(=C2)C(=O)OCC

Isomeric SMILES

CCN(CC)C(=O)N1C=CC(=N1)SC2=CC=CC(=C2)C(=O)OCC

InChI

InChI=1S/C17H21N3O3S/c1-4-19(5-2)17(22)20-11-10-15(18-20)24-14-9-7-8-13(12-14)16(21)23-6-3/h7-12H,4-6H2,1-3H3