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

Systemtic Name: 2-[[5-(1,3-benzodioxol-5-ylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[[5-(1,3-benzodioxol-5-ylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-(1-piperidyl)ethanone CAS Name: 2-[[5-(1,3-benzodioxol-5-ylmethyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[[5-(1,3-benzodioxol-5-ylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylethanone Traditional Name: 2-[(4-ethyl-5-piperonyl-1,2,4-triazol-3-yl)thio]-1-piperidino-ethanone Formula: C19H24N4O3S MolecularWeight: 388.48386

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)N2CCCCC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N2CCCCC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H24N4O3S/c1-2-23-17(11-14-6-7-15-16(10-14)26-13-25-15)20-21-19(23)27-12-18(24)22-8-4-3-5-9-22/h6-7,10H,2-5,8-9,11-13H2,1H3