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

Systemtic Name: [2,2-dicyano-1-(4-methylphenyl)-2-oxidanyl-ethyl] thiocyanate Openeye Name: [2,2-dicyano-2-hydroxy-1-(p-tolyl)ethyl] thiocyanate CAS Name: thiocyanic acid [2,2-dicyano-2-hydroxy-1-(4-methylphenyl)ethyl] ester IUPAC Name: [2,2-dicyano-2-hydroxy-1-(4-methylphenyl)ethyl] thiocyanate Traditional Name: thiocyanic acid [2,2-dicyano-2-hydroxy-1-(p-tolyl)ethyl] ester Formula: C12H9N3OS MolecularWeight: 243.28436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C(C#N)(C#N)O)SC#N

Isomeric SMILES

CC1=CC=C(C=C1)C(C(C#N)(C#N)O)SC#N

InChI

InChI=1S/C12H9N3OS/c1-9-2-4-10(5-3-9)11(17-8-15)12(16,6-13)7-14/h2-5,11,16H,1H3