3-[[4-(2-methylpropyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one

Systemtic Name: 3-[[4-(2-methylpropyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one Openeye Name: 3-[(4-isobutyl-5-morpholino-1,2,4-triazol-3-yl)sulfanyl]azepan-2-one CAS Name: 3-[[4-(2-methylpropyl)-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]-2-azepanone IUPAC Name: 3-[[4-(2-methylpropyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one Traditional Name: 3-[(4-isobutyl-5-morpholino-1,2,4-triazol-3-yl)thio]azepan-2-one Formula: C16H27N5O2S MolecularWeight: 353.48288

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NN=C1SC2CCCCNC2=O)N3CCOCC3

Isomeric SMILES

CC(C)CN1C(=NN=C1SC2CCCCNC2=O)N3CCOCC3

InChI

InChI=1S/C16H27N5O2S/c1-12(2)11-21-15(20-7-9-23-10-8-20)18-19-16(21)24-13-5-3-4-6-17-14(13)22/h12-13H,3-11H2,1-2H3,(H,17,22)