(E)-4-butylsulfanyl-2-phenyl-2-(1-phenylethyl)but-3-enenitrile

Systemtic Name: (E)-4-butylsulfanyl-2-phenyl-2-(1-phenylethyl)but-3-enenitrile Openeye Name: (E)-4-butylsulfanyl-2-phenyl-2-(1-phenylethyl)but-3-enenitrile CAS Name: (E)-4-(butylthio)-2-phenyl-2-(1-phenylethyl)-3-butenenitrile IUPAC Name: (E)-4-butylsulfanyl-2-phenyl-2-(1-phenylethyl)but-3-enenitrile Traditional Name: (E)-4-(butylthio)-2-phenyl-2-(1-phenylethyl)but-3-enenitrile Formula: C22H25NS MolecularWeight: 335.5056

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC=CC(C#N)(C1=CC=CC=C1)C(C)C2=CC=CC=C2

Isomeric SMILES

CCCCS/C=C/C(C#N)(C1=CC=CC=C1)C(C)C2=CC=CC=C2

InChI

InChI=1S/C22H25NS/c1-3-4-16-24-17-15-22(18-23,21-13-9-6-10-14-21)19(2)20-11-7-5-8-12-20/h5-15,17,19H,3-4,16H2,1-2H3/b17-15+