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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1)CC2=CC=CC=C2)C(=O)CSC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CN(CC1=CN(N=C1)CC2=CC=CC=C2)C(=O)CSC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C22H23N3O3S/c1-24(13-18-12-23-25(15-18)14-17-5-3-2-4-6-17)22(26)16-29-19-7-8-20-21(11-19)28-10-9-27-20/h2-8,11-12,15H,9-10,13-14,16H2,1H3