2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanamide

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanamide Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetamide CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-N-(3,5-dimethyl-1-phenyl-4-pyrazolyl)acetamide IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetamide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)CSC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)CSC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H21N3O3S/c1-14-21(15(2)24(23-14)16-6-4-3-5-7-16)22-20(25)13-28-17-8-9-18-19(12-17)27-11-10-26-18/h3-9,12H,10-11,13H2,1-2H3,(H,22,25)