4-[[1-(2-ethoxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-3-fluoranyl-benzenecarbonitrile

Systemtic Name: 4-[[1-(2-ethoxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-3-fluoranyl-benzenecarbonitrile Openeye Name: 4-[[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-3-fluoro-benzonitrile CAS Name: 4-[[[1-(2-ethoxyphenyl)-5-tetrazolyl]thio]methyl]-3-fluorobenzonitrile IUPAC Name: 4-[[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-3-fluorobenzonitrile Traditional Name: 3-fluoro-4-[[(1-o-phenetyltetrazol-5-yl)thio]methyl]benzonitrile Formula: C17H14FN5OS MolecularWeight: 355.389363

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2C(=NN=N2)SCC3=C(C=C(C=C3)C#N)F

Isomeric SMILES

CCOC1=CC=CC=C1N2C(=NN=N2)SCC3=C(C=C(C=C3)C#N)F

InChI

InChI=1S/C17H14FN5OS/c1-2-24-16-6-4-3-5-15(16)23-17(20-21-22-23)25-11-13-8-7-12(10-19)9-14(13)18/h3-9H,2,11H2,1H3