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

Systemtic Name: 2-[3-(4-chloranylphenoxy)propylsulfanyl]-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)ethanamide Openeye Name: 2-[3-(4-chlorophenoxy)propylsulfanyl]-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)acetamide CAS Name: 2-[3-(4-chlorophenoxy)propylthio]-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)acetamide IUPAC Name: 2-[3-(4-chlorophenoxy)propylsulfanyl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide Traditional Name: 2-[3-(4-chlorophenoxy)propylthio]-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)acetamide Formula: C22H24ClN3O3S MolecularWeight: 445.96226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSCCCOC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSCCCOC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H24ClN3O3S/c1-16-21(22(28)26(25(16)2)18-7-4-3-5-8-18)24-20(27)15-30-14-6-13-29-19-11-9-17(23)10-12-19/h3-5,7-12H,6,13-15H2,1-2H3,(H,24,27)