4-[[2,2-dicyano-1-[(4-fluorophenyl)amino]ethenyl]sulfanylmethyl]benzoic acid

Systemtic Name: 4-[[2,2-dicyano-1-[(4-fluorophenyl)amino]ethenyl]sulfanylmethyl]benzoic acid Openeye Name: 4-[[2,2-dicyano-1-(4-fluoroanilino)vinyl]sulfanylmethyl]benzoic acid CAS Name: 4-[[[2,2-dicyano-1-(4-fluoroanilino)ethenyl]thio]methyl]benzoic acid IUPAC Name: 4-[[2,2-dicyano-1-(4-fluoroanilino)ethenyl]sulfanylmethyl]benzoic acid Traditional Name: 4-[[[2,2-dicyano-1-(4-fluoroanilino)vinyl]thio]methyl]benzoic acid Formula: C18H12FN3O2S MolecularWeight: 353.370183

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC(=C(C#N)C#N)NC2=CC=C(C=C2)F)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CSC(=C(C#N)C#N)NC2=CC=C(C=C2)F)C(=O)O

InChI

InChI=1S/C18H12FN3O2S/c19-15-5-7-16(8-6-15)22-17(14(9-20)10-21)25-11-12-1-3-13(4-2-12)18(23)24/h1-8,22H,11H2,(H,23,24)