3-[(E)-3-pyridin-2-ylsulfanylprop-2-enyl]cyclohexan-1-one

Systemtic Name: 3-[(E)-3-pyridin-2-ylsulfanylprop-2-enyl]cyclohexan-1-one Openeye Name: 3-[(E)-3-(2-pyridylsulfanyl)allyl]cyclohexanone CAS Name: 3-[(E)-3-(2-pyridinylthio)prop-2-enyl]-1-cyclohexanone IUPAC Name: 3-[(E)-3-pyridin-2-ylsulfanylprop-2-enyl]cyclohexan-1-one Traditional Name: 3-[(E)-3-(2-pyridylthio)allyl]cyclohexanone Formula: C14H17NOS MolecularWeight: 247.35588

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(=O)C1)CC=CSC2=CC=CC=N2

Isomeric SMILES

C1CC(CC(=O)C1)C/C=C/SC2=CC=CC=N2

InChI

InChI=1S/C14H17NOS/c16-13-7-3-5-12(11-13)6-4-10-17-14-8-1-2-9-15-14/h1-2,4,8-10,12H,3,5-7,11H2/b10-4+