4-octadecylsulfanylbenzenecarbonitrile

Systemtic Name: 4-octadecylsulfanylbenzenecarbonitrile Openeye Name: 4-octadecylsulfanylbenzonitrile CAS Name: 4-(octadecylthio)benzonitrile IUPAC Name: 4-octadecylsulfanylbenzonitrile Traditional Name: 4-(stearylthio)benzonitrile Formula: C25H41NS MolecularWeight: 387.66474

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSC1=CC=C(C=C1)C#N

Isomeric SMILES

CCCCCCCCCCCCCCCCCCSC1=CC=C(C=C1)C#N

InChI

InChI=1S/C25H41NS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-27-25-20-18-24(23-26)19-21-25/h18-21H,2-17,22H2,1H3