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

Systemtic Name: 3-[(3,4-dichlorophenyl)methylsulfanyl]-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)propanamide Openeye Name: 3-[(3,4-dichlorophenyl)methylsulfanyl]-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)propanamide CAS Name: 3-[(3,4-dichlorophenyl)methylthio]-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)propanamide IUPAC Name: 3-[(3,4-dichlorophenyl)methylsulfanyl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide Traditional Name: 3-[(3,4-dichlorobenzyl)thio]-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)propionamide Formula: C21H21Cl2N3O2S MolecularWeight: 450.38134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CCSCC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CCSCC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H21Cl2N3O2S/c1-14-20(21(28)26(25(14)2)16-6-4-3-5-7-16)24-19(27)10-11-29-13-15-8-9-17(22)18(23)12-15/h3-9,12H,10-11,13H2,1-2H3,(H,24,27)