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

Systemtic Name: 2-[[5-(1,3-benzodioxol-5-ylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[[5-(1,3-benzodioxol-5-ylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[5-(1,3-benzodioxol-5-ylmethyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[[5-(1,3-benzodioxol-5-ylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[(4-ethyl-5-piperonyl-1,2,4-triazol-3-yl)thio]-1-pyrrolidino-ethanone Formula: C18H22N4O3S MolecularWeight: 374.45728

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)N2CCCC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N2CCCC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H22N4O3S/c1-2-22-16(10-13-5-6-14-15(9-13)25-12-24-14)19-20-18(22)26-11-17(23)21-7-3-4-8-21/h5-6,9H,2-4,7-8,10-12H2,1H3