N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-[(2-ethoxyphenyl)methylsulfanyl]ethanamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-[(2-ethoxyphenyl)methylsulfanyl]ethanamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2-[(2-ethoxyphenyl)methylsulfanyl]acetamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-[(2-ethoxyphenyl)methylthio]acetamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(2-ethoxyphenyl)methylsulfanyl]acetamide Traditional Name: 2-[(2-ethoxybenzyl)thio]-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)acetamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CSCC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C

Isomeric SMILES

CCOC1=CC=CC=C1CSCC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C

InChI

InChI=1S/C22H25N3O3S/c1-4-28-19-13-9-8-10-17(19)14-29-15-20(26)23-21-16(2)24(3)25(22(21)27)18-11-6-5-7-12-18/h5-13H,4,14-15H2,1-3H3,(H,23,26)