4-(butan-2-ylsulfanylmethyl)-3-fluoranyl-benzenecarbonitrile

Systemtic Name: 4-(butan-2-ylsulfanylmethyl)-3-fluoranyl-benzenecarbonitrile Openeye Name: 3-fluoro-4-(sec-butylsulfanylmethyl)benzonitrile CAS Name: 4-[(butan-2-ylthio)methyl]-3-fluorobenzonitrile IUPAC Name: 4-(butan-2-ylsulfanylmethyl)-3-fluorobenzonitrile Traditional Name: 3-fluoro-4-[(sec-butylthio)methyl]benzonitrile Formula: C12H14FNS MolecularWeight: 223.309663

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SCC1=C(C=C(C=C1)C#N)F

Isomeric SMILES

CCC(C)SCC1=C(C=C(C=C1)C#N)F

InChI

InChI=1S/C12H14FNS/c1-3-9(2)15-8-11-5-4-10(7-14)6-12(11)13/h4-6,9H,3,8H2,1-2H3