4-[1-(furan-2-yl)-2-imidazol-1-yl-ethyl]sulfanylbenzoic acid

Systemtic Name: 4-[1-(furan-2-yl)-2-imidazol-1-yl-ethyl]sulfanylbenzoic acid Openeye Name: 4-[1-(2-furyl)-2-imidazol-1-yl-ethyl]sulfanylbenzoic acid CAS Name: 4-[[1-(2-furanyl)-2-(1-imidazolyl)ethyl]thio]benzoic acid IUPAC Name: 4-[1-(furan-2-yl)-2-imidazol-1-ylethyl]sulfanylbenzoic acid Traditional Name: 4-[[1-(2-furyl)-2-imidazol-1-yl-ethyl]thio]benzoic acid Formula: C16H14N2O3S MolecularWeight: 314.35896

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C(CN2C=CN=C2)SC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=COC(=C1)C(CN2C=CN=C2)SC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C16H14N2O3S/c19-16(20)12-3-5-13(6-4-12)22-15(14-2-1-9-21-14)10-18-8-7-17-11-18/h1-9,11,15H,10H2,(H,19,20)