2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-phenyl-ethanone; ethanoic acid

Systemtic Name: 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-phenyl-ethanone; ethanoic acid Openeye Name: acetic acid; 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-phenyl-ethanone CAS Name: acetic acid; 2-(4,5-dihydro-1H-imidazol-2-ylthio)-1-phenylethanone IUPAC Name: acetic acid; 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-phenylethanone Traditional Name: acetic acid; 2-(2-imidazolin-2-ylthio)-1-phenyl-ethanone Formula: C13H16N2O3S MolecularWeight: 280.34274

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1CN=C(N1)SCC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(=O)O.C1CN=C(N1)SCC(=O)C2=CC=CC=C2

InChI

InChI=1S/C11H12N2OS.C2H4O2/c14-10(9-4-2-1-3-5-9)8-15-11-12-6-7-13-11;1-2(3)4/h1-5H,6-8H2,(H,12,13);1H3,(H,3,4)