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

Systemtic Name: 2-[[5-(1,3-benzodioxol-5-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[[5-(1,3-benzodioxol-5-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(1-piperidyl)ethanone CAS Name: 2-[[5-(1,3-benzodioxol-5-yl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[[5-(1,3-benzodioxol-5-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylethanone Traditional Name: 2-[[5-(1,3-benzodioxol-5-yl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-piperidino-ethanone Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCN(CC1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H22N4O3S/c27-20(25-11-5-2-6-12-25)14-30-22-24-23-21(26(22)17-7-3-1-4-8-17)16-9-10-18-19(13-16)29-15-28-18/h1,3-4,7-10,13H,2,5-6,11-12,14-15H2