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

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]ethanamide Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]acetamide CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-N-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]acetamide IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]acetamide Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]acetamide Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O3S/c1-15-19(16(2)25(24-15)17-6-4-3-5-7-17)13-23-22(26)14-29-18-8-9-20-21(12-18)28-11-10-27-20/h3-9,12H,10-11,13-14H2,1-2H3,(H,23,26)