[2,4-dimethyl-3-(4-methylphenyl)-4-thiocyanato-pentan-2-yl] thiocyanate

Systemtic Name: [2,4-dimethyl-3-(4-methylphenyl)-4-thiocyanato-pentan-2-yl] thiocyanate Openeye Name: [1,1,3-trimethyl-2-(p-tolyl)-3-thiocyanato-butyl] thiocyanate CAS Name: thiocyanic acid [2,4-dimethyl-3-(4-methylphenyl)-4-thiocyanatopentan-2-yl] ester IUPAC Name: [2,4-dimethyl-3-(4-methylphenyl)-4-thiocyanatopentan-2-yl] thiocyanate Traditional Name: thiocyanic acid [1,1,3-trimethyl-2-(p-tolyl)-3-thiocyanato-butyl] ester Formula: C16H20N2S2 MolecularWeight: 304.4734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2S2/c1-12-6-8-13(9-7-12)14(15(2,3)19-10-17)16(4,5)20-11-18/h6-9,14H,1-5H3