2-(2-hepta-1,3,5-triynylsulfanylphenyl)ethanenitrile

Systemtic Name: 2-(2-hepta-1,3,5-triynylsulfanylphenyl)ethanenitrile Openeye Name: 2-(2-hepta-1,3,5-triynylsulfanylphenyl)acetonitrile CAS Name: 2-[2-(hepta-1,3,5-triynylthio)phenyl]acetonitrile IUPAC Name: 2-(2-hepta-1,3,5-triynylsulfanylphenyl)acetonitrile Traditional Name: 2-[2-(hepta-1,3,5-triynylthio)phenyl]acetonitrile Formula: C15H9NS MolecularWeight: 235.30366

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC#CC#CSC1=CC=CC=C1CC#N

Isomeric SMILES

CC#CC#CC#CSC1=CC=CC=C1CC#N

InChI

InChI=1S/C15H9NS/c1-2-3-4-5-8-13-17-15-10-7-6-9-14(15)11-12-16/h6-7,9-10H,11H2,1H3