[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 4-pyrazol-1-ylbenzoate

Systemtic Name: [2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 4-pyrazol-1-ylbenzoate Openeye Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 4-pyrazol-1-ylbenzoate CAS Name: 4-(1-pyrazolyl)benzoic acid [2-oxo-2-[2-(phenylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 4-pyrazol-1-ylbenzoate Traditional Name: 4-pyrazol-1-ylbenzoic acid [2-keto-2-[2-(phenylthio)ethylamino]ethyl] ester Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCNC(=O)COC(=O)C2=CC=C(C=C2)N3C=CC=N3

Isomeric SMILES

C1=CC=C(C=C1)SCCNC(=O)COC(=O)C2=CC=C(C=C2)N3C=CC=N3

InChI

InChI=1S/C20H19N3O3S/c24-19(21-12-14-27-18-5-2-1-3-6-18)15-26-20(25)16-7-9-17(10-8-16)23-13-4-11-22-23/h1-11,13H,12,14-15H2,(H,21,24)