[3-methyl-2-(4-methylphenyl)sulfonyl-but-2-enyl] thiocyanate

Systemtic Name: [3-methyl-2-(4-methylphenyl)sulfonyl-but-2-enyl] thiocyanate Openeye Name: [3-methyl-2-(p-tolylsulfonyl)but-2-enyl] thiocyanate CAS Name: thiocyanic acid [3-methyl-2-(4-methylphenyl)sulfonylbut-2-enyl] ester IUPAC Name: [3-methyl-2-(4-methylphenyl)sulfonylbut-2-enyl] thiocyanate Traditional Name: thiocyanic acid (3-methyl-2-tosyl-but-2-enyl) ester Formula: C13H15NO2S2 MolecularWeight: 281.3937

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(=C(C)C)CSC#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(=C(C)C)CSC#N

InChI

InChI=1S/C13H15NO2S2/c1-10(2)13(8-17-9-14)18(15,16)12-6-4-11(3)5-7-12/h4-7H,8H2,1-3H3