3-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanenitrile

Systemtic Name: 3-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Openeye Name: 3-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanenitrile CAS Name: 3-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]thio]propanenitrile IUPAC Name: 3-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Traditional Name: 3-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]thio]propionitrile Formula: C11H9FN4S MolecularWeight: 248.279363

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NC(=NN2)SCCC#N)F

Isomeric SMILES

C1=CC=C(C(=C1)C2=NC(=NN2)SCCC#N)F

InChI

InChI=1S/C11H9FN4S/c12-9-5-2-1-4-8(9)10-14-11(16-15-10)17-7-3-6-13/h1-2,4-5H,3,7H2,(H,14,15,16)