9-(phenylsulfanylmethyl)-1,4-dioxaspiro[4.5]decane-9-carbonitrile

Systemtic Name: 9-(phenylsulfanylmethyl)-1,4-dioxaspiro[4.5]decane-9-carbonitrile Openeye Name: 9-(phenylsulfanylmethyl)-1,4-dioxaspiro[4.5]decane-9-carbonitrile CAS Name: 9-[(phenylthio)methyl]-1,4-dioxaspiro[4.5]decane-9-carbonitrile IUPAC Name: 9-(phenylsulfanylmethyl)-1,4-dioxaspiro[4.5]decane-9-carbonitrile Traditional Name: 9-[(phenylthio)methyl]-1,4-dioxaspiro[4.5]decane-9-carbonitrile Formula: C16H19NO2S MolecularWeight: 289.39256

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC2(C1)OCCO2)(CSC3=CC=CC=C3)C#N

Isomeric SMILES

C1CC(CC2(C1)OCCO2)(CSC3=CC=CC=C3)C#N

InChI

InChI=1S/C16H19NO2S/c17-12-15(13-20-14-5-2-1-3-6-14)7-4-8-16(11-15)18-9-10-19-16/h1-3,5-6H,4,7-11,13H2