1-[3-[2-(1H-imidazol-5-yl)ethylsulfanyl]phenyl]ethanone

Systemtic Name: 1-[3-[2-(1H-imidazol-5-yl)ethylsulfanyl]phenyl]ethanone Openeye Name: 1-[3-[2-(1H-imidazol-5-yl)ethylsulfanyl]phenyl]ethanone CAS Name: 1-[3-[2-(1H-imidazol-5-yl)ethylthio]phenyl]ethanone IUPAC Name: 1-[3-[2-(1H-imidazol-5-yl)ethylsulfanyl]phenyl]ethanone Traditional Name: 1-[3-[2-(1H-imidazol-5-yl)ethylthio]phenyl]ethanone Formula: C13H14N2OS MolecularWeight: 246.32806

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)SCCC2=CN=CN2

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)SCCC2=CN=CN2

InChI

InChI=1S/C13H14N2OS/c1-10(16)11-3-2-4-13(7-11)17-6-5-12-8-14-9-15-12/h2-4,7-9H,5-6H2,1H3,(H,14,15)