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

Systemtic Name: 4-(butan-2-ylsulfanylmethyl)-3-fluoranyl-benzenecarboximidamide Openeye Name: 3-fluoro-4-(sec-butylsulfanylmethyl)benzamidine CAS Name: 4-[(butan-2-ylthio)methyl]-3-fluorobenzenecarboximidamide IUPAC Name: 4-(butan-2-ylsulfanylmethyl)-3-fluorobenzenecarboximidamide Traditional Name: 3-fluoro-4-[(sec-butylthio)methyl]benzamidine Formula: C12H17FN2S MolecularWeight: 240.340183

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17FN2S/c1-3-8(2)16-7-10-5-4-9(12(14)15)6-11(10)13/h4-6,8H,3,7H2,1-2H3,(H3,14,15)