4-[(3-oxidanylidenecyclohexyl)sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[(3-oxidanylidenecyclohexyl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[(3-oxocyclohexyl)sulfanylmethyl]benzonitrile CAS Name: 4-[[(3-oxocyclohexyl)thio]methyl]benzonitrile IUPAC Name: 4-[(3-oxocyclohexyl)sulfanylmethyl]benzonitrile Traditional Name: 4-[[(3-ketocyclohexyl)thio]methyl]benzonitrile Formula: C14H15NOS MolecularWeight: 245.34

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(=O)C1)SCC2=CC=C(C=C2)C#N

Isomeric SMILES

C1CC(CC(=O)C1)SCC2=CC=C(C=C2)C#N

InChI

InChI=1S/C14H15NOS/c15-9-11-4-6-12(7-5-11)10-17-14-3-1-2-13(16)8-14/h4-7,14H,1-3,8,10H2