1-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethanone CAS Name: 1-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidinyl]-2-[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethanone Traditional Name: 2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)thio]-1-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidino]ethanone Formula: C24H26N4O3S MolecularWeight: 450.55324

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)N2CCCC2C3=CC4=C(C=C3)OCCO4)CC5=CC=CC=C5

Isomeric SMILES

CN1C(=NN=C1SCC(=O)N2CCC[C@H]2C3=CC4=C(C=C3)OCCO4)CC5=CC=CC=C5

InChI

InChI=1S/C24H26N4O3S/c1-27-22(14-17-6-3-2-4-7-17)25-26-24(27)32-16-23(29)28-11-5-8-19(28)18-9-10-20-21(15-18)31-13-12-30-20/h2-4,6-7,9-10,15,19H,5,8,11-14,16H2,1H3/t19-/m0/s1