5-butyl-2-methylsulfanyl-benzenecarbonitrile

Systemtic Name: 5-butyl-2-methylsulfanyl-benzenecarbonitrile Openeye Name: 5-butyl-2-methylsulfanyl-benzonitrile CAS Name: 5-butyl-2-(methylthio)benzonitrile IUPAC Name: 5-butyl-2-methylsulfanylbenzonitrile Traditional Name: 5-butyl-2-(methylthio)benzonitrile Formula: C12H15NS MolecularWeight: 205.3192

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)SC)C#N

Isomeric SMILES

CCCCC1=CC(=C(C=C1)SC)C#N

InChI

InChI=1S/C12H15NS/c1-3-4-5-10-6-7-12(14-2)11(8-10)9-13/h6-8H,3-5H2,1-2H3