5-methylidene-3-phenylsulfanyl-nonanenitrile

Systemtic Name: 5-methylidene-3-phenylsulfanyl-nonanenitrile Openeye Name: 5-methylene-3-phenylsulfanyl-nonanenitrile CAS Name: 5-methylene-3-(phenylthio)nonanenitrile IUPAC Name: 5-methylidene-3-phenylsulfanylnonanenitrile Traditional Name: 5-butyl-3-(phenylthio)hex-5-enenitrile Formula: C16H21NS MolecularWeight: 259.40964

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=C)CC(CC#N)SC1=CC=CC=C1

Isomeric SMILES

CCCCC(=C)CC(CC#N)SC1=CC=CC=C1

InChI

InChI=1S/C16H21NS/c1-3-4-8-14(2)13-16(11-12-17)18-15-9-6-5-7-10-15/h5-7,9-10,16H,2-4,8,11,13H2,1H3