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

Systemtic Name: 2-[[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[(4-methyl-5-piperonyl-1,2,4-triazol-3-yl)thio]-1-pyrrolidino-ethanone Formula: C17H20N4O3S MolecularWeight: 360.4307

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)N2CCCC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN1C(=NN=C1SCC(=O)N2CCCC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H20N4O3S/c1-20-15(9-12-4-5-13-14(8-12)24-11-23-13)18-19-17(20)25-10-16(22)21-6-2-3-7-21/h4-5,8H,2-3,6-7,9-11H2,1H3