ethanedioic acid; 4-[3-(1H-imidazol-5-yl)propoxy]thiobenzaldehyde

Systemtic Name: ethanedioic acid; 4-[3-(1H-imidazol-5-yl)propoxy]thiobenzaldehyde Openeye Name: 4-[3-(1H-imidazol-5-yl)propoxy]thiobenzaldehyde; oxalic acid CAS Name: 4-[3-(1H-imidazol-5-yl)propoxy]thiobenzaldehyde; oxalic acid IUPAC Name: 4-[3-(1H-imidazol-5-yl)propoxy]thiobenzaldehyde; oxalic acid Traditional Name: 4-[3-(1H-imidazol-5-yl)propoxy]thiobenzaldehyde; oxalic acid Formula: C15H16N2O5S MolecularWeight: 336.36294

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=S)OCCCC2=CN=CN2.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC(=CC=C1C=S)OCCCC2=CN=CN2.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H14N2OS.C2H2O4/c17-9-11-3-5-13(6-4-11)16-7-1-2-12-8-14-10-15-12;3-1(4)2(5)6/h3-6,8-10H,1-2,7H2,(H,14,15);(H,3,4)(H,5,6)