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

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[(3,5-dimethylphenyl)methylsulfanyl]propanamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-[(3,5-dimethylphenyl)methylsulfanyl]propanamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-[(3,5-dimethylphenyl)methylthio]propanamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[(3,5-dimethylphenyl)methylsulfanyl]propanamide Traditional Name: 3-[(3,5-dimethylbenzyl)thio]-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)propionamide Formula: C23H27N3O2S MolecularWeight: 409.54438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O2S/c1-16-12-17(2)14-19(13-16)15-29-11-10-21(27)24-22-18(3)25(4)26(23(22)28)20-8-6-5-7-9-20/h5-9,12-14H,10-11,15H2,1-4H3,(H,24,27)