2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-prop-2-enyl-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-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-1-piperidin-1-yl-ethanone Openeye Name: 2-[[4-allyl-5-(2,3-dihydro-1,4-benzodioxin-3-yl)-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-prop-2-enyl-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-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-1-piperidin-1-ylethanone Traditional Name: 2-[[4-allyl-5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-triazol-3-yl]thio]-2-phenyl-1-piperidino-ethanone Formula: C26H28N4O3S MolecularWeight: 476.59052

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SC(C2=CC=CC=C2)C(=O)N3CCCCC3)C4COC5=CC=CC=C5O4

Isomeric SMILES

C=CCN1C(=NN=C1SC(C2=CC=CC=C2)C(=O)N3CCCCC3)C4COC5=CC=CC=C5O4

InChI

InChI=1S/C26H28N4O3S/c1-2-15-30-24(22-18-32-20-13-7-8-14-21(20)33-22)27-28-26(30)34-23(19-11-5-3-6-12-19)25(31)29-16-9-4-10-17-29/h2-3,5-8,11-14,22-23H,1,4,9-10,15-18H2