4-butan-2-ylsulfanyl-3-fluoranyl-benzenecarbonitrile

Systemtic Name: 4-butan-2-ylsulfanyl-3-fluoranyl-benzenecarbonitrile Openeye Name: 3-fluoro-4-sec-butylsulfanyl-benzonitrile CAS Name: 4-(butan-2-ylthio)-3-fluorobenzonitrile IUPAC Name: 4-butan-2-ylsulfanyl-3-fluorobenzonitrile Traditional Name: 3-fluoro-4-(sec-butylthio)benzonitrile Formula: C11H12FNS MolecularWeight: 209.283083

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=C(C=C(C=C1)C#N)F

Isomeric SMILES

CCC(C)SC1=C(C=C(C=C1)C#N)F

InChI

InChI=1S/C11H12FNS/c1-3-8(2)14-11-5-4-9(7-13)6-10(11)12/h4-6,8H,3H2,1-2H3