2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-phenyl-butane-1,3-dione

Systemtic Name: 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-phenyl-butane-1,3-dione Openeye Name: 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-phenyl-butane-1,3-dione CAS Name: 2-(4,5-dihydro-1H-imidazol-2-ylthio)-1-phenylbutane-1,3-dione IUPAC Name: 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-phenylbutane-1,3-dione Traditional Name: 2-(2-imidazolin-2-ylthio)-1-phenyl-butane-1,3-dione Formula: C13H14N2O2S MolecularWeight: 262.32746

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(=O)C1=CC=CC=C1)SC2=NCCN2

Isomeric SMILES

CC(=O)C(C(=O)C1=CC=CC=C1)SC2=NCCN2

InChI

InChI=1S/C13H14N2O2S/c1-9(16)12(18-13-14-7-8-15-13)11(17)10-5-3-2-4-6-10/h2-6,12H,7-8H2,1H3,(H,14,15)