(1S,4S,5S)-5-methylsulfanylbicyclo[2.2.2]oct-2-ene-5-carbonitrile

Systemtic Name: (1S,4S,5S)-5-methylsulfanylbicyclo[2.2.2]oct-2-ene-5-carbonitrile Openeye Name: (1S,4S,5S)-5-methylsulfanylbicyclo[2.2.2]oct-2-ene-5-carbonitrile CAS Name: (1S,4S,5S)-5-(methylthio)-5-bicyclo[2.2.2]oct-2-enecarbonitrile IUPAC Name: (1S,4S,5S)-5-methylsulfanylbicyclo[2.2.2]oct-2-ene-5-carbonitrile Traditional Name: (1S,4S,5S)-5-(methylthio)bicyclo[2.2.2]oct-2-ene-5-carbonitrile Formula: C10H13NS MolecularWeight: 179.28192

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Descriptors Computed from Structure

Canonical SMILES:

CSC1(CC2CCC1C=C2)C#N

Isomeric SMILES

CS[C@]1(C[C@@H]2CC[C@H]1C=C2)C#N

InChI

InChI=1S/C10H13NS/c1-12-10(7-11)6-8-2-4-9(10)5-3-8/h2,4,8-9H,3,5-6H2,1H3/t8-,9+,10+/m0/s1