3-azanylpropylsulfanyl 2,2,2-tris(fluoranyl)ethanoate; benzenecarboximidamide

Systemtic Name: 3-azanylpropylsulfanyl 2,2,2-tris(fluoranyl)ethanoate; benzenecarboximidamide Openeye Name: 3-aminopropylsulfanyl 2,2,2-trifluoroacetate; benzamidine CAS Name: benzenecarboximidamide; 2,2,2-trifluoroacetic acid (3-aminopropylthio) ester IUPAC Name: 3-aminopropylsulfanyl 2,2,2-trifluoroacetate; benzenecarboximidamide Traditional Name: benzamidine; 2,2,2-trifluoroacetic acid (3-aminopropylthio) ester Formula: C12H16F3N3O2S MolecularWeight: 323.33455

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=N)N.C(CN)CSOC(=O)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C(=N)N.C(CN)CSOC(=O)C(F)(F)F

InChI

InChI=1S/C7H8N2.C5H8F3NO2S/c8-7(9)6-4-2-1-3-5-6;6-5(7,8)4(10)11-12-3-1-2-9/h1-5H,(H3,8,9);1-3,9H2