N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C20H21N5O3S MolecularWeight: 411.47744

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC2=C(C=C1)OCCO2)C(=O)CSC3=NNC(=N3)C4=CC=NC=C4

Isomeric SMILES

CCN(CC1=CC2=C(C=C1)OCCO2)C(=O)CSC3=NNC(=N3)C4=CC=NC=C4

InChI

InChI=1S/C20H21N5O3S/c1-2-25(12-14-3-4-16-17(11-14)28-10-9-27-16)18(26)13-29-20-22-19(23-24-20)15-5-7-21-8-6-15/h3-8,11H,2,9-10,12-13H2,1H3,(H,22,23,24)