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

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]methyl]ethanamide Openeye Name: N-[(1-benzyl-3-phenyl-pyrazol-4-yl)methyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetamide CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-N-[[3-phenyl-1-(phenylmethyl)-4-pyrazolyl]methyl]acetamide IUPAC Name: N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetamide Traditional Name: N-[(1-benzyl-3-phenyl-pyrazol-4-yl)methyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)acetamide Formula: C27H25N3O3S MolecularWeight: 471.5707

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)SCC(=O)NCC3=CN(N=C3C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)SCC(=O)NCC3=CN(N=C3C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C27H25N3O3S/c31-26(19-34-23-11-12-24-25(15-23)33-14-13-32-24)28-16-22-18-30(17-20-7-3-1-4-8-20)29-27(22)21-9-5-2-6-10-21/h1-12,15,18H,13-14,16-17,19H2,(H,28,31)