4-[3-(piperidin-1-ylmethyl)phenyl]sulfanylbutanenitrile

Systemtic Name: 4-[3-(piperidin-1-ylmethyl)phenyl]sulfanylbutanenitrile Openeye Name: 4-[3-(1-piperidylmethyl)phenyl]sulfanylbutanenitrile CAS Name: 4-[[3-(1-piperidinylmethyl)phenyl]thio]butanenitrile IUPAC Name: 4-[3-(piperidin-1-ylmethyl)phenyl]sulfanylbutanenitrile Traditional Name: 4-[[3-(piperidinomethyl)phenyl]thio]butyronitrile Formula: C16H22N2S MolecularWeight: 274.42428

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC(=CC=C2)SCCCC#N

Isomeric SMILES

C1CCN(CC1)CC2=CC(=CC=C2)SCCCC#N

InChI

InChI=1S/C16H22N2S/c17-9-2-5-12-19-16-8-6-7-15(13-16)14-18-10-3-1-4-11-18/h6-8,13H,1-5,10-12,14H2