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

Systemtic Name: ethanedioic acid; 1-[3-[3-(1H-imidazol-5-yl)propylsulfanyl]phenyl]ethanone Openeye Name: 1-[3-[3-(1H-imidazol-5-yl)propylsulfanyl]phenyl]ethanone; oxalic acid CAS Name: 1-[3-[3-(1H-imidazol-5-yl)propylthio]phenyl]ethanone; oxalic acid IUPAC Name: 1-[3-[3-(1H-imidazol-5-yl)propylsulfanyl]phenyl]ethanone; oxalic acid Traditional Name: 1-[3-[3-(1H-imidazol-5-yl)propylthio]phenyl]ethanone; oxalic acid Formula: C16H18N2O5S MolecularWeight: 350.38952

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)SCCCC2=CN=CN2.C(=O)(C(=O)O)O

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)SCCCC2=CN=CN2.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H16N2OS.C2H2O4/c1-11(17)12-4-2-6-14(8-12)18-7-3-5-13-9-15-10-16-13;3-1(4)2(5)6/h2,4,6,8-10H,3,5,7H2,1H3,(H,15,16);(H,3,4)(H,5,6)