[2-(2-nitrophenyl)sulfanylcyclohexyl] thiocyanate

Systemtic Name: [2-(2-nitrophenyl)sulfanylcyclohexyl] thiocyanate Openeye Name: [2-(2-nitrophenyl)sulfanylcyclohexyl] thiocyanate CAS Name: thiocyanic acid [2-[(2-nitrophenyl)thio]cyclohexyl] ester IUPAC Name: [2-(2-nitrophenyl)sulfanylcyclohexyl] thiocyanate Traditional Name: thiocyanic acid [2-[(2-nitrophenyl)thio]cyclohexyl] ester Formula: C13H14N2O2S2 MolecularWeight: 294.39246

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)SC#N)SC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

C1CCC(C(C1)SC#N)SC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C13H14N2O2S2/c14-9-18-12-7-3-4-8-13(12)19-11-6-2-1-5-10(11)15(16)17/h1-2,5-6,12-13H,3-4,7-8H2