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

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-[3-(3,5-dimethylphenoxy)propylsulfanyl]ethanamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2-[3-(3,5-dimethylphenoxy)propylsulfanyl]acetamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-[3-(3,5-dimethylphenoxy)propylthio]acetamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[3-(3,5-dimethylphenoxy)propylsulfanyl]acetamide Traditional Name: 2-[3-(3,5-dimethylphenoxy)propylthio]-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)acetamide Formula: C24H29N3O3S MolecularWeight: 439.57036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCCSCC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCCSCC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C

InChI

InChI=1S/C24H29N3O3S/c1-17-13-18(2)15-21(14-17)30-11-8-12-31-16-22(28)25-23-19(3)26(4)27(24(23)29)20-9-6-5-7-10-20/h5-7,9-10,13-15H,8,11-12,16H2,1-4H3,(H,25,28)