(E)-4-butylsulfanyl-2-methyl-2-phenyl-but-3-enenitrile

Systemtic Name: (E)-4-butylsulfanyl-2-methyl-2-phenyl-but-3-enenitrile Openeye Name: (E)-4-butylsulfanyl-2-methyl-2-phenyl-but-3-enenitrile CAS Name: (E)-4-(butylthio)-2-methyl-2-phenyl-3-butenenitrile IUPAC Name: (E)-4-butylsulfanyl-2-methyl-2-phenylbut-3-enenitrile Traditional Name: (E)-4-(butylthio)-2-methyl-2-phenyl-but-3-enenitrile Formula: C15H19NS MolecularWeight: 245.38306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19NS/c1-3-4-11-17-12-10-15(2,13-16)14-8-6-5-7-9-14/h5-10,12H,3-4,11H2,1-2H3/b12-10+