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

Systemtic Name: 2-[[5-(3-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethanone Openeye Name: 2-[[5-(3-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethanone CAS Name: 2-[[5-(3-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-1-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidinyl]ethanone IUPAC Name: 2-[[5-(3-chlorophenyl)-4-ethyl-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-(3-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-1-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidino]ethanone Formula: C24H25ClN4O3S MolecularWeight: 484.9983

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)N2CCCC2C3=CC4=C(C=C3)OCCO4)C5=CC(=CC=C5)Cl

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N2CCC[C@H]2C3=CC4=C(C=C3)OCCO4)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C24H25ClN4O3S/c1-2-28-23(17-5-3-6-18(25)13-17)26-27-24(28)33-15-22(30)29-10-4-7-19(29)16-8-9-20-21(14-16)32-12-11-31-20/h3,5-6,8-9,13-14,19H,2,4,7,10-12,15H2,1H3/t19-/m0/s1