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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]methyl]benzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzamide Traditional Name: 4-[[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-N-piperonyl-benzamide Formula: C25H23N5O3S MolecularWeight: 473.54682

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=C(C=C2)C(=O)NCC3=CC4=C(C=C3)OCO4)C5=CC=NC=C5

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=C(C=C2)C(=O)NCC3=CC4=C(C=C3)OCO4)C5=CC=NC=C5

InChI

InChI=1S/C25H23N5O3S/c1-2-30-23(19-9-11-26-12-10-19)28-29-25(30)34-15-17-3-6-20(7-4-17)24(31)27-14-18-5-8-21-22(13-18)33-16-32-21/h3-13H,2,14-16H2,1H3,(H,27,31)