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

Systemtic Name: 2-[[4-(2-methylpropyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[(4-isobutyl-5-morpholino-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[4-(2-methylpropyl)-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]-2-phenyl-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[[4-(2-methylpropyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-1-pyrrolidin-1-ylethanone Traditional Name: 2-[(4-isobutyl-5-morpholino-1,2,4-triazol-3-yl)thio]-2-phenyl-1-pyrrolidino-ethanone Formula: C22H31N5O2S MolecularWeight: 429.57884

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NN=C1SC(C2=CC=CC=C2)C(=O)N3CCCC3)N4CCOCC4

Isomeric SMILES

CC(C)CN1C(=NN=C1SC(C2=CC=CC=C2)C(=O)N3CCCC3)N4CCOCC4

InChI

InChI=1S/C22H31N5O2S/c1-17(2)16-27-21(26-12-14-29-15-13-26)23-24-22(27)30-19(18-8-4-3-5-9-18)20(28)25-10-6-7-11-25/h3-5,8-9,17,19H,6-7,10-16H2,1-2H3