2-[[5-(1-benzofuran-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[[5-(1-benzofuran-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[[5-(benzofuran-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[5-(2-benzofuranyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[[5-(1-benzofuran-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[5-(benzofuran-2-yl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-pyrrolidino-ethanone Formula: C22H20N4O2S MolecularWeight: 404.4848

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC5=CC=CC=C5O4

Isomeric SMILES

C1CCN(C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C22H20N4O2S/c27-20(25-12-6-7-13-25)15-29-22-24-23-21(26(22)17-9-2-1-3-10-17)19-14-16-8-4-5-11-18(16)28-19/h1-5,8-11,14H,6-7,12-13,15H2