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

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[5-(4-methylphenyl)-2-phenyl-pyrazol-3-yl]ethanamide Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[2-phenyl-5-(p-tolyl)pyrazol-3-yl]acetamide CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-N-[5-(4-methylphenyl)-2-phenyl-3-pyrazolyl]acetamide IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[5-(4-methylphenyl)-2-phenylpyrazol-3-yl]acetamide Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-N-[2-phenyl-5-(p-tolyl)pyrazol-3-yl]acetamide Formula: C26H23N3O3S MolecularWeight: 457.54412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=C2)NC(=O)CSC3=CC4=C(C=C3)OCCO4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=C2)NC(=O)CSC3=CC4=C(C=C3)OCCO4)C5=CC=CC=C5

InChI

InChI=1S/C26H23N3O3S/c1-18-7-9-19(10-8-18)22-16-25(29(28-22)20-5-3-2-4-6-20)27-26(30)17-33-21-11-12-23-24(15-21)32-14-13-31-23/h2-12,15-16H,13-14,17H2,1H3,(H,27,30)