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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O3S/c1-23(13-16-12-22-24(14-16)17-5-3-2-4-6-17)21(25)15-28-18-7-8-19-20(11-18)27-10-9-26-19/h2-8,11-12,14H,9-10,13,15H2,1H3