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

Systemtic Name: ethanedioic acid; 1-[3-[2-(1H-imidazol-5-yl)ethylsulfanyl]phenyl]ethanone Openeye Name: 1-[3-[2-(1H-imidazol-5-yl)ethylsulfanyl]phenyl]ethanone; oxalic acid CAS Name: 1-[3-[2-(1H-imidazol-5-yl)ethylthio]phenyl]ethanone; oxalic acid IUPAC Name: 1-[3-[2-(1H-imidazol-5-yl)ethylsulfanyl]phenyl]ethanone; oxalic acid Traditional Name: 1-[3-[2-(1H-imidazol-5-yl)ethylthio]phenyl]ethanone; oxalic acid Formula: C15H16N2O5S MolecularWeight: 336.36294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2OS.C2H2O4/c1-10(16)11-3-2-4-13(7-11)17-6-5-12-8-14-9-15-12;3-1(4)2(5)6/h2-4,7-9H,5-6H2,1H3,(H,14,15);(H,3,4)(H,5,6)