1,3-benzodioxol-5-yl-[(3S)-3-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC)C2CCCN(C2)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCN1C(=NN=C1SC)[C@H]2CCCN(C2)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H22N4O3S/c1-3-22-16(19-20-18(22)26-2)13-5-4-8-21(10-13)17(23)12-6-7-14-15(9-12)25-11-24-14/h6-7,9,13H,3-5,8,10-11H2,1-2H3/t13-/m0/s1