2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-1-piperidin-1-yl-ethanone Openeye Name: 2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-1-(1-piperidyl)ethanone CAS Name: 2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-1,2,4-triazol-3-yl]thio]-2-phenyl-1-(1-piperidinyl)ethanone IUPAC Name: 2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-1-piperidin-1-ylethanone Traditional Name: 2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-1,2,4-triazol-3-yl]thio]-2-phenyl-1-piperidino-ethanone Formula: C24H26N4O3S MolecularWeight: 450.55324

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SC(C2=CC=CC=C2)C(=O)N3CCCCC3)C4COC5=CC=CC=C5O4

Isomeric SMILES

CN1C(=NN=C1SC(C2=CC=CC=C2)C(=O)N3CCCCC3)C4COC5=CC=CC=C5O4

InChI

InChI=1S/C24H26N4O3S/c1-27-22(20-16-30-18-12-6-7-13-19(18)31-20)25-26-24(27)32-21(17-10-4-2-5-11-17)23(29)28-14-8-3-9-15-28/h2,4-7,10-13,20-21H,3,8-9,14-16H2,1H3