N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-ethyl-2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-piperonyl-acetamide Formula: C21H23N5O3S MolecularWeight: 425.50402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)N(CC)CC2=CC3=C(C=C2)OCO3)C4=CC=NC=C4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N(CC)CC2=CC3=C(C=C2)OCO3)C4=CC=NC=C4

InChI

InChI=1S/C21H23N5O3S/c1-3-25(12-15-5-6-17-18(11-15)29-14-28-17)19(27)13-30-21-24-23-20(26(21)4-2)16-7-9-22-10-8-16/h5-11H,3-4,12-14H2,1-2H3