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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-propyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[4-propyl-5-(2-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[4-propyl-5-(2-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-propyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-piperonyl-2-[[4-propyl-5-(2-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C20H21N5O3S MolecularWeight: 411.47744

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC(=O)NCC2=CC3=C(C=C2)OCO3)C4=CC=CC=N4

Isomeric SMILES

CCCN1C(=NN=C1SCC(=O)NCC2=CC3=C(C=C2)OCO3)C4=CC=CC=N4

InChI

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