[4-(3-methylbutylsulfonyl)phenyl] thiocyanate

Systemtic Name: [4-(3-methylbutylsulfonyl)phenyl] thiocyanate Openeye Name: (4-isopentylsulfonylphenyl) thiocyanate CAS Name: thiocyanic acid [4-(3-methylbutylsulfonyl)phenyl] ester IUPAC Name: [4-(3-methylbutylsulfonyl)phenyl] thiocyanate Traditional Name: thiocyanic acid (4-isoamylsulfonylphenyl) ester Formula: C12H15NO2S2 MolecularWeight: 269.383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO2S2/c1-10(2)7-8-17(14,15)12-5-3-11(4-6-12)16-9-13/h3-6,10H,7-8H2,1-2H3