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

Systemtic Name: (E)-4-butylsulfanyl-2-phenyl-2-(phenylmethyl)but-3-enenitrile Openeye Name: (E)-2-benzyl-4-butylsulfanyl-2-phenyl-but-3-enenitrile CAS Name: (E)-4-(butylthio)-2-phenyl-2-(phenylmethyl)-3-butenenitrile IUPAC Name: (E)-2-benzyl-4-butylsulfanyl-2-phenylbut-3-enenitrile Traditional Name: (E)-2-benzyl-4-(butylthio)-2-phenyl-but-3-enenitrile Formula: C21H23NS MolecularWeight: 321.47902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC=CC(CC1=CC=CC=C1)(C#N)C2=CC=CC=C2

Isomeric SMILES

CCCCS/C=C/C(CC1=CC=CC=C1)(C#N)C2=CC=CC=C2

InChI

InChI=1S/C21H23NS/c1-2-3-15-23-16-14-21(18-22,20-12-8-5-9-13-20)17-19-10-6-4-7-11-19/h4-14,16H,2-3,15,17H2,1H3/b16-14+