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

Systemtic Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-ethyl-N-phenyl-ethanamide Openeye Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-ethyl-N-phenyl-acetamide CAS Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-N-ethyl-N-phenylacetamide IUPAC Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-ethyl-N-phenylacetamide Traditional Name: N-ethyl-N-phenyl-2-[(5-phenyl-4-piperonyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C26H24N4O3S MolecularWeight: 472.55876

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)C(=O)CSC2=NN=C(N2CC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

Isomeric SMILES

CCN(C1=CC=CC=C1)C(=O)CSC2=NN=C(N2CC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

InChI

InChI=1S/C26H24N4O3S/c1-2-29(21-11-7-4-8-12-21)24(31)17-34-26-28-27-25(20-9-5-3-6-10-20)30(26)16-19-13-14-22-23(15-19)33-18-32-22/h3-15H,2,16-18H2,1H3