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

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

CCN(CC1=CC2=C(C=C1)OCO2)C(=O)CSC3=NN=CN3C4=CC=CC=C4

Isomeric SMILES

CCN(CC1=CC2=C(C=C1)OCO2)C(=O)CSC3=NN=CN3C4=CC=CC=C4

InChI

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