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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-1-[4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone Openeye Name: 2-(1,3-benzodioxol-5-yl)-1-[4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-1-piperidyl]ethanone CAS Name: 2-(1,3-benzodioxol-5-yl)-1-[4-[4-methyl-5-(methylthio)-1,2,4-triazol-3-yl]-1-piperidinyl]ethanone IUPAC Name: 2-(1,3-benzodioxol-5-yl)-1-[4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone Traditional Name: 2-(1,3-benzodioxol-5-yl)-1-[4-[4-methyl-5-(methylthio)-1,2,4-triazol-3-yl]piperidino]ethanone Formula: C18H22N4O3S MolecularWeight: 374.45728

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SC)C2CCN(CC2)C(=O)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN1C(=NN=C1SC)C2CCN(CC2)C(=O)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H22N4O3S/c1-21-17(19-20-18(21)26-2)13-5-7-22(8-6-13)16(23)10-12-3-4-14-15(9-12)25-11-24-14/h3-4,9,13H,5-8,10-11H2,1-2H3