4-[[C-(dicyanomethyl)-N-prop-2-enyl-carbonimidoyl]sulfanylmethyl]benzoic acid

Systemtic Name: 4-[[C-(dicyanomethyl)-N-prop-2-enyl-carbonimidoyl]sulfanylmethyl]benzoic acid Openeye Name: 4-[[N-allyl-C-(dicyanomethyl)carbonimidoyl]sulfanylmethyl]benzoic acid CAS Name: 4-[[(2,2-dicyano-1-prop-2-enyliminoethyl)thio]methyl]benzoic acid IUPAC Name: 4-[[C-(dicyanomethyl)-N-prop-2-enylcarbonimidoyl]sulfanylmethyl]benzoic acid Traditional Name: 4-[[[N-allyl-C-(dicyanomethyl)carbonimidoyl]thio]methyl]benzoic acid Formula: C15H13N3O2S MolecularWeight: 299.34762

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN=C(C(C#N)C#N)SCC1=CC=C(C=C1)C(=O)O

Isomeric SMILES

C=CCN=C(C(C#N)C#N)SCC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C15H13N3O2S/c1-2-7-18-14(13(8-16)9-17)21-10-11-3-5-12(6-4-11)15(19)20/h2-6,13H,1,7,10H2,(H,19,20)