4-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)benzoic acid

Systemtic Name: 4-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)benzoic acid Openeye Name: 4-(2-thioxo-1,3-dihydroimidazol-4-yl)benzoic acid CAS Name: 4-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)benzoic acid IUPAC Name: 4-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)benzoic acid Traditional Name: 4-(2-thioxo-4-imidazolin-4-yl)benzoic acid Formula: C10H8N2O2S MolecularWeight: 220.24772

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CNC(=S)N2)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=CNC(=S)N2)C(=O)O

InChI

InChI=1S/C10H8N2O2S/c13-9(14)7-3-1-6(2-4-7)8-5-11-10(15)12-8/h1-5H,(H,13,14)(H2,11,12,15)