2-(3-phenylsulfanylprop-1-ynyl)benzenecarbonitrile

Systemtic Name: 2-(3-phenylsulfanylprop-1-ynyl)benzenecarbonitrile Openeye Name: 2-(3-phenylsulfanylprop-1-ynyl)benzonitrile CAS Name: 2-[3-(phenylthio)prop-1-ynyl]benzonitrile IUPAC Name: 2-(3-phenylsulfanylprop-1-ynyl)benzonitrile Traditional Name: 2-[3-(phenylthio)prop-1-ynyl]benzonitrile Formula: C16H11NS MolecularWeight: 249.33024

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCC#CC2=CC=CC=C2C#N

Isomeric SMILES

C1=CC=C(C=C1)SCC#CC2=CC=CC=C2C#N

InChI

InChI=1S/C16H11NS/c17-13-15-8-5-4-7-14(15)9-6-12-18-16-10-2-1-3-11-16/h1-5,7-8,10-11H,12H2