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

Systemtic Name: 2-[[4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-phenyl-1-pyrrolidin-1-yl-2-[[4-(tetrahydrofuran-2-ylmethyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 2-[[4-(2-oxolanylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]-2-phenyl-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[[4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-1-pyrrolidin-1-ylethanone Traditional Name: 2-phenyl-1-pyrrolidino-2-[[4-(tetrahydrofurfuryl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C23H26N4O2S2 MolecularWeight: 454.60814

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C(C2=CC=CC=C2)SC3=NN=C(N3CC4CCCO4)C5=CC=CS5

Isomeric SMILES

C1CCN(C1)C(=O)C(C2=CC=CC=C2)SC3=NN=C(N3CC4CCCO4)C5=CC=CS5

InChI

InChI=1S/C23H26N4O2S2/c28-22(26-12-4-5-13-26)20(17-8-2-1-3-9-17)31-23-25-24-21(19-11-7-15-30-19)27(23)16-18-10-6-14-29-18/h1-3,7-9,11,15,18,20H,4-6,10,12-14,16H2