[2-(4-cyclopentylphenyl)-3-thiocyanato-propyl] thiocyanate

Systemtic Name: [2-(4-cyclopentylphenyl)-3-thiocyanato-propyl] thiocyanate Openeye Name: [2-(4-cyclopentylphenyl)-3-thiocyanato-propyl] thiocyanate CAS Name: thiocyanic acid [2-(4-cyclopentylphenyl)-3-thiocyanatopropyl] ester IUPAC Name: [2-(4-cyclopentylphenyl)-3-thiocyanatopropyl] thiocyanate Traditional Name: thiocyanic acid [2-(4-cyclopentylphenyl)-3-thiocyanato-propyl] ester Formula: C16H13N2S2 MolecularWeight: 297.41782

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[C]2[CH][CH][CH][CH]2)C(CSC#N)CSC#N

Isomeric SMILES

C1=CC(=CC=C1[C]2[CH][CH][CH][CH]2)C(CSC#N)CSC#N

InChI

InChI=1S/C16H13N2S2/c17-11-19-9-16(10-20-12-18)15-7-5-14(6-8-15)13-3-1-2-4-13/h1-8,16H,9-10H2