4-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-fluoranyl-benzenecarbonitrile

Systemtic Name: 4-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-fluoranyl-benzenecarbonitrile Openeye Name: 4-[[4-ethyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-fluoro-benzonitrile CAS Name: 4-[[[4-ethyl-5-(2-furanyl)-1,2,4-triazol-3-yl]thio]methyl]-3-fluorobenzonitrile IUPAC Name: 4-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-fluorobenzonitrile Traditional Name: 4-[[[4-ethyl-5-(2-furyl)-1,2,4-triazol-3-yl]thio]methyl]-3-fluoro-benzonitrile Formula: C16H13FN4OS MolecularWeight: 328.364023

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=C(C=C(C=C2)C#N)F)C3=CC=CO3

Isomeric SMILES

CCN1C(=NN=C1SCC2=C(C=C(C=C2)C#N)F)C3=CC=CO3

InChI

InChI=1S/C16H13FN4OS/c1-2-21-15(14-4-3-7-22-14)19-20-16(21)23-10-12-6-5-11(9-18)8-13(12)17/h3-8H,2,10H2,1H3