3-oxidanylidene-1-(phenylsulfanylmethyl)cyclohexane-1-carbonitrile

Systemtic Name: 3-oxidanylidene-1-(phenylsulfanylmethyl)cyclohexane-1-carbonitrile Openeye Name: 3-oxo-1-(phenylsulfanylmethyl)cyclohexanecarbonitrile CAS Name: 3-oxo-1-[(phenylthio)methyl]-1-cyclohexanecarbonitrile IUPAC Name: 3-oxo-1-(phenylsulfanylmethyl)cyclohexane-1-carbonitrile Traditional Name: 3-keto-1-[(phenylthio)methyl]cyclohexanecarbonitrile Formula: C14H15NOS MolecularWeight: 245.34

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)CC(C1)(CSC2=CC=CC=C2)C#N

Isomeric SMILES

C1CC(=O)CC(C1)(CSC2=CC=CC=C2)C#N

InChI

InChI=1S/C14H15NOS/c15-10-14(8-4-5-12(16)9-14)11-17-13-6-2-1-3-7-13/h1-3,6-7H,4-5,8-9,11H2