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

Systemtic Name: 4-[(2,2-dicyano-1-phenylazanyl-ethenyl)sulfanylmethyl]benzoic acid Openeye Name: 4-[(1-anilino-2,2-dicyano-vinyl)sulfanylmethyl]benzoic acid CAS Name: 4-[[(1-anilino-2,2-dicyanoethenyl)thio]methyl]benzoic acid IUPAC Name: 4-[(1-anilino-2,2-dicyanoethenyl)sulfanylmethyl]benzoic acid Traditional Name: 4-[[(1-anilino-2,2-dicyano-vinyl)thio]methyl]benzoic acid Formula: C18H13N3O2S MolecularWeight: 335.37972

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=C(C#N)C#N)SCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)NC(=C(C#N)C#N)SCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C18H13N3O2S/c19-10-15(11-20)17(21-16-4-2-1-3-5-16)24-12-13-6-8-14(9-7-13)18(22)23/h1-9,21H,12H2,(H,22,23)