4-[(E)-(5-phenyl-2-sulfanylidene-1H-imidazol-3-yl)iminomethyl]benzoic acid

Systemtic Name: 4-[(E)-(5-phenyl-2-sulfanylidene-1H-imidazol-3-yl)iminomethyl]benzoic acid Openeye Name: 4-[(E)-(5-phenyl-2-thioxo-1H-imidazol-3-yl)iminomethyl]benzoic acid CAS Name: 4-[(E)-(5-phenyl-2-sulfanylidene-1H-imidazol-3-yl)iminomethyl]benzoic acid IUPAC Name: 4-[(E)-(5-phenyl-2-sulfanylidene-1H-imidazol-3-yl)iminomethyl]benzoic acid Traditional Name: 4-[(E)-(4-phenyl-2-thioxo-4-imidazolin-1-yl)iminomethyl]benzoic acid Formula: C17H13N3O2S MolecularWeight: 323.36902

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CN(C(=S)N2)N=CC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CN(C(=S)N2)/N=C/C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C17H13N3O2S/c21-16(22)14-8-6-12(7-9-14)10-18-20-11-15(19-17(20)23)13-4-2-1-3-5-13/h1-11H,(H,19,23)(H,21,22)/b18-10+