(E)-4-butylsulfanyl-2-phenyl-2-propan-2-yl-but-3-enenitrile

Systemtic Name: (E)-4-butylsulfanyl-2-phenyl-2-propan-2-yl-but-3-enenitrile Openeye Name: (E)-4-butylsulfanyl-2-isopropyl-2-phenyl-but-3-enenitrile CAS Name: (E)-4-(butylthio)-2-phenyl-2-propan-2-yl-3-butenenitrile IUPAC Name: (E)-4-butylsulfanyl-2-phenyl-2-propan-2-ylbut-3-enenitrile Traditional Name: (E)-4-(butylthio)-2-isopropyl-2-phenyl-but-3-enenitrile Formula: C17H23NS MolecularWeight: 273.43622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23NS/c1-4-5-12-19-13-11-17(14-18,15(2)3)16-9-7-6-8-10-16/h6-11,13,15H,4-5,12H2,1-3H3/b13-11+