3-[[4-[(5-oxidanylidene-2-sulfanylidene-imidazolidin-4-ylidene)methyl]phenoxy]methyl]benzoic acid

Systemtic Name: 3-[[4-[(5-oxidanylidene-2-sulfanylidene-imidazolidin-4-ylidene)methyl]phenoxy]methyl]benzoic acid Openeye Name: 3-[[4-[(5-oxo-2-thioxo-imidazolidin-4-ylidene)methyl]phenoxy]methyl]benzoic acid CAS Name: 3-[[4-[(5-oxo-2-sulfanylidene-4-imidazolidinylidene)methyl]phenoxy]methyl]benzoic acid IUPAC Name: 3-[[4-[(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]phenoxy]methyl]benzoic acid Traditional Name: 3-[[4-[(5-keto-2-thioxo-imidazolidin-4-ylidene)methyl]phenoxy]methyl]benzoic acid Formula: C18H14N2O4S MolecularWeight: 354.37976

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)COC2=CC=C(C=C2)C=C3C(=O)NC(=S)N3)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)COC2=CC=C(C=C2)C=C3C(=O)NC(=S)N3)C(=O)O

InChI

InChI=1S/C18H14N2O4S/c21-16-15(19-18(25)20-16)9-11-4-6-14(7-5-11)24-10-12-2-1-3-13(8-12)17(22)23/h1-9H,10H2,(H,22,23)(H2,19,20,21,25)