2-[[5-(1,3-benzodioxol-5-yloxymethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone

Systemtic Name: 2-[[5-(1,3-benzodioxol-5-yloxymethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[5-(1,3-benzodioxol-5-yloxymethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[5-(1,3-benzodioxol-5-yloxymethyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[[5-(1,3-benzodioxol-5-yloxymethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[[5-(1,3-benzodioxol-5-yloxymethyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-1-phenyl-ethanone Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C2=CC=CC=C2)COC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C2=CC=CC=C2)COC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H19N3O4S/c1-2-23-19(11-25-15-8-9-17-18(10-15)27-13-26-17)21-22-20(23)28-12-16(24)14-6-4-3-5-7-14/h3-10H,2,11-13H2,1H3