4-[2-(sulfanylmethyl)tridecyl]benzenecarbonitrile

Systemtic Name: 4-[2-(sulfanylmethyl)tridecyl]benzenecarbonitrile Openeye Name: 4-[2-(sulfanylmethyl)tridecyl]benzonitrile CAS Name: 4-[2-(mercaptomethyl)tridecyl]benzonitrile IUPAC Name: 4-[2-(sulfanylmethyl)tridecyl]benzonitrile Traditional Name: 4-[2-(mercaptomethyl)tridecyl]benzonitrile Formula: C21H33NS MolecularWeight: 331.55842

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CC1=CC=C(C=C1)C#N)CS

Isomeric SMILES

CCCCCCCCCCCC(CC1=CC=C(C=C1)C#N)CS

InChI

InChI=1S/C21H33NS/c1-2-3-4-5-6-7-8-9-10-11-21(18-23)16-19-12-14-20(17-22)15-13-19/h12-15,21,23H,2-11,16,18H2,1H3