4-fluoranyl-3-(2-methylpropylsulfanylmethyl)benzenecarbonitrile

Systemtic Name: 4-fluoranyl-3-(2-methylpropylsulfanylmethyl)benzenecarbonitrile Openeye Name: 4-fluoro-3-(isobutylsulfanylmethyl)benzonitrile CAS Name: 4-fluoro-3-[(2-methylpropylthio)methyl]benzonitrile IUPAC Name: 4-fluoro-3-(2-methylpropylsulfanylmethyl)benzonitrile Traditional Name: 4-fluoro-3-[(isobutylthio)methyl]benzonitrile Formula: C12H14FNS MolecularWeight: 223.309663

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSCC1=C(C=CC(=C1)C#N)F

Isomeric SMILES

CC(C)CSCC1=C(C=CC(=C1)C#N)F

InChI

InChI=1S/C12H14FNS/c1-9(2)7-15-8-11-5-10(6-14)3-4-12(11)13/h3-5,9H,7-8H2,1-2H3