2-[(E)-2-butylsulfanylethenyl]-2-phenyl-pentanenitrile

Systemtic Name: 2-[(E)-2-butylsulfanylethenyl]-2-phenyl-pentanenitrile Openeye Name: 2-[(E)-2-butylsulfanylvinyl]-2-phenyl-pentanenitrile CAS Name: 2-[(E)-2-(butylthio)ethenyl]-2-phenylpentanenitrile IUPAC Name: 2-[(E)-2-butylsulfanylethenyl]-2-phenylpentanenitrile Traditional Name: (E)-4-(butylthio)-2-phenyl-2-propyl-but-3-enenitrile Formula: C17H23NS MolecularWeight: 273.43622

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC=CC(CCC)(C#N)C1=CC=CC=C1

Isomeric SMILES

CCCCS/C=C/C(CCC)(C#N)C1=CC=CC=C1

InChI

InChI=1S/C17H23NS/c1-3-5-13-19-14-12-17(15-18,11-4-2)16-9-7-6-8-10-16/h6-10,12,14H,3-5,11,13H2,1-2H3/b14-12+