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

Systemtic Name: 2-[[5-(1,3-benzodioxol-5-yloxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[5-(1,3-benzodioxol-5-yloxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[5-(1,3-benzodioxol-5-yloxymethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[[5-(1,3-benzodioxol-5-yloxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[[5-(1,3-benzodioxol-5-yloxymethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-phenyl-ethanone Formula: C24H19N3O4S MolecularWeight: 445.49036

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)OCC3=NN=C(N3C4=CC=CC=C4)SCC(=O)C5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)OCC3=NN=C(N3C4=CC=CC=C4)SCC(=O)C5=CC=CC=C5

InChI

InChI=1S/C24H19N3O4S/c28-20(17-7-3-1-4-8-17)15-32-24-26-25-23(27(24)18-9-5-2-6-10-18)14-29-19-11-12-21-22(13-19)31-16-30-21/h1-13H,14-16H2