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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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