3-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)propanamide

Systemtic Name: 3-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)propanamide Openeye Name: 3-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)propanamide CAS Name: 3-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)propanamide IUPAC Name: 3-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide Traditional Name: 3-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)propionamide Formula: C22H22ClN3O4S MolecularWeight: 459.94578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CCSCC3=CC4=C(C(=C3)Cl)OCO4

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CCSCC3=CC4=C(C(=C3)Cl)OCO4

InChI

InChI=1S/C22H22ClN3O4S/c1-14-20(22(28)26(25(14)2)16-6-4-3-5-7-16)24-19(27)8-9-31-12-15-10-17(23)21-18(11-15)29-13-30-21/h3-7,10-11H,8-9,12-13H2,1-2H3,(H,24,27)