2-[(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone

Systemtic Name: 2-[(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone Openeye Name: 2-[(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-[2-(2-thienyl)pyrrolidin-1-yl]ethanone CAS Name: 2-[[5-(4-morpholinyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-(2-thiophen-2-yl-1-pyrrolidinyl)ethanone IUPAC Name: 2-[(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone Traditional Name: 2-[(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)thio]-1-[2-(2-thienyl)pyrrolidino]ethanone Formula: C22H25N5O2S2 MolecularWeight: 455.5962

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)N4CCOCC4)C5=CC=CS5

Isomeric SMILES

C1CC(N(C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)N4CCOCC4)C5=CC=CS5

InChI

InChI=1S/C22H25N5O2S2/c28-20(26-10-4-8-18(26)19-9-5-15-30-19)16-31-22-24-23-21(25-11-13-29-14-12-25)27(22)17-6-2-1-3-7-17/h1-3,5-7,9,15,18H,4,8,10-14,16H2