[2-oxidanylidene-2-(4-propan-2-ylphenyl)ethyl] thiocyanate

Systemtic Name: [2-oxidanylidene-2-(4-propan-2-ylphenyl)ethyl] thiocyanate Openeye Name: [2-(4-isopropylphenyl)-2-oxo-ethyl] thiocyanate CAS Name: thiocyanic acid [2-oxo-2-(4-propan-2-ylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-propan-2-ylphenyl)ethyl] thiocyanate Traditional Name: thiocyanic acid (2-keto-2-p-cumenyl-ethyl) ester Formula: C12H13NOS MolecularWeight: 219.30272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=O)CSC#N

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(=O)CSC#N

InChI

InChI=1S/C12H13NOS/c1-9(2)10-3-5-11(6-4-10)12(14)7-15-8-13/h3-6,9H,7H2,1-2H3