3-bicyclo[2.2.2]octa-1,3,5,7-tetraenyl thiocyanate

Systemtic Name: 3-bicyclo[2.2.2]octa-1,3,5,7-tetraenyl thiocyanate Openeye Name: 3-bicyclo[2.2.2]octa-1,3,5,7-tetraenyl thiocyanate CAS Name: thiocyanic acid 3-bicyclo[2.2.2]octa-1,3,5,7-tetraenyl ester IUPAC Name: 3-bicyclo[2.2.2]octa-1,3,5,7-tetraenyl thiocyanate Traditional Name: thiocyanic acid 3-bicyclo[2.2.2]octa-1,3,5,7-tetraenyl ester Formula: C9H5NS MolecularWeight: 159.2077

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C=C2)SC#N

Isomeric SMILES

C1=CC2=C(C=C1C=C2)SC#N

InChI

InChI=1S/C9H5NS/c10-6-11-9-5-7-1-3-8(9)4-2-7/h1-5H