1-(1-benzofuran-2-yl)-2-[[4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(1-benzofuran-2-yl)-2-[[4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(benzofuran-2-yl)-2-[[4-(tetrahydrofuran-2-ylmethyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(2-benzofuranyl)-2-[[4-(2-oxolanylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(1-benzofuran-2-yl)-2-[[4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(benzofuran-2-yl)-2-[[4-(tetrahydrofurfuryl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C21H19N3O3S2 MolecularWeight: 425.52386

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=NN=C2SCC(=O)C3=CC4=CC=CC=C4O3)C5=CC=CS5

Isomeric SMILES

C1CC(OC1)CN2C(=NN=C2SCC(=O)C3=CC4=CC=CC=C4O3)C5=CC=CS5

InChI

InChI=1S/C21H19N3O3S2/c25-16(18-11-14-5-1-2-7-17(14)27-18)13-29-21-23-22-20(19-8-4-10-28-19)24(21)12-15-6-3-9-26-15/h1-2,4-5,7-8,10-11,15H,3,6,9,12-13H2