4-[[(E)-3,3-dimethylbut-1-enyl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[[(E)-3,3-dimethylbut-1-enyl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[(E)-3,3-dimethylbut-1-enyl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[(E)-3,3-dimethylbut-1-enyl]thio]methyl]benzonitrile IUPAC Name: 4-[[(E)-3,3-dimethylbut-1-enyl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[(E)-3,3-dimethylbut-1-enyl]thio]methyl]benzonitrile Formula: C14H17NS MolecularWeight: 231.35648

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C=CSCC1=CC=C(C=C1)C#N

Isomeric SMILES

CC(C)(C)/C=C/SCC1=CC=C(C=C1)C#N

InChI

InChI=1S/C14H17NS/c1-14(2,3)8-9-16-11-13-6-4-12(10-15)5-7-13/h4-9H,11H2,1-3H3/b9-8+