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

Systemtic Name: [3-(4-methylphenyl)-4-thiocyanato-pentan-2-yl] thiocyanate Openeye Name: [1-methyl-2-(p-tolyl)-3-thiocyanato-butyl] thiocyanate CAS Name: thiocyanic acid [3-(4-methylphenyl)-4-thiocyanatopentan-2-yl] ester IUPAC Name: [3-(4-methylphenyl)-4-thiocyanatopentan-2-yl] thiocyanate Traditional Name: thiocyanic acid [1-methyl-2-(p-tolyl)-3-thiocyanato-butyl] ester Formula: C14H16N2S2 MolecularWeight: 276.42024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2S2/c1-10-4-6-13(7-5-10)14(11(2)17-8-15)12(3)18-9-16/h4-7,11-12,14H,1-3H3