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

Systemtic Name: 3-(2-azanylethylsulfanylmethyl)-4-fluoranyl-benzenecarbonitrile Openeye Name: 3-(2-aminoethylsulfanylmethyl)-4-fluoro-benzonitrile CAS Name: 3-[(2-aminoethylthio)methyl]-4-fluorobenzonitrile IUPAC Name: 3-(2-aminoethylsulfanylmethyl)-4-fluorobenzonitrile Traditional Name: 3-[(2-aminoethylthio)methyl]-4-fluoro-benzonitrile Formula: C10H11FN2S MolecularWeight: 210.271143

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C#N)CSCCN)F

Isomeric SMILES

C1=CC(=C(C=C1C#N)CSCCN)F

InChI

InChI=1S/C10H11FN2S/c11-10-2-1-8(6-13)5-9(10)7-14-4-3-12/h1-2,5H,3-4,7,12H2