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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN2C(=CC=N2)NC(=O)CSC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CCC1=CC=C(C=C1)CN2C(=CC=N2)NC(=O)CSC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C22H23N3O3S/c1-2-16-3-5-17(6-4-16)14-25-21(9-10-23-25)24-22(26)15-29-18-7-8-19-20(13-18)28-12-11-27-19/h3-10,13H,2,11-12,14-15H2,1H3,(H,24,26)