[2,2-dicyano-1-(4-methoxyphenyl)-2-oxidanyl-ethyl] thiocyanate

Systemtic Name: [2,2-dicyano-1-(4-methoxyphenyl)-2-oxidanyl-ethyl] thiocyanate Openeye Name: [2,2-dicyano-2-hydroxy-1-(4-methoxyphenyl)ethyl] thiocyanate CAS Name: thiocyanic acid [2,2-dicyano-2-hydroxy-1-(4-methoxyphenyl)ethyl] ester IUPAC Name: [2,2-dicyano-2-hydroxy-1-(4-methoxyphenyl)ethyl] thiocyanate Traditional Name: thiocyanic acid [2,2-dicyano-2-hydroxy-1-(4-methoxyphenyl)ethyl] ester Formula: C12H9N3O2S MolecularWeight: 259.28376

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C(C#N)(C#N)O)SC#N

Isomeric SMILES

COC1=CC=C(C=C1)C(C(C#N)(C#N)O)SC#N

InChI

InChI=1S/C12H9N3O2S/c1-17-10-4-2-9(3-5-10)11(18-8-15)12(16,6-13)7-14/h2-5,11,16H,1H3