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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)thio]-N-piperonyl-acetamide Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1C2=CC=CC=C2)SCC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCC1=NN=C(N1C2=CC=CC=C2)SCC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H20N4O3S/c1-2-18-22-23-20(24(18)15-6-4-3-5-7-15)28-12-19(25)21-11-14-8-9-16-17(10-14)27-13-26-16/h3-10H,2,11-13H2,1H3,(H,21,25)