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

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]ethanamide Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[5-methyl-2-(p-tolyl)pyrazol-3-yl]acetamide CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-N-[5-methyl-2-(4-methylphenyl)-3-pyrazolyl]acetamide IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-N-[5-methyl-2-(p-tolyl)pyrazol-3-yl]acetamide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=N2)C)NC(=O)CSC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=N2)C)NC(=O)CSC3=CC4=C(C=C3)OCCO4

InChI

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