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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C)C(=O)NCC2=CC3=C(C=C2)OCO3)C4=CC=NC=C4

Isomeric SMILES

CCN1C(=NN=C1SC(C)C(=O)NCC2=CC3=C(C=C2)OCO3)C4=CC=NC=C4

InChI

InChI=1S/C20H21N5O3S/c1-3-25-18(15-6-8-21-9-7-15)23-24-20(25)29-13(2)19(26)22-11-14-4-5-16-17(10-14)28-12-27-16/h4-10,13H,3,11-12H2,1-2H3,(H,22,26)