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

Systemtic Name: 3-fluoranyl-4-[[1-(phenylmethyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[(1-benzyltetrazol-5-yl)sulfanylmethyl]-3-fluoro-benzonitrile CAS Name: 3-fluoro-4-[[[1-(phenylmethyl)-5-tetrazolyl]thio]methyl]benzonitrile IUPAC Name: 4-[(1-benzyltetrazol-5-yl)sulfanylmethyl]-3-fluorobenzonitrile Traditional Name: 4-[[(1-benzyltetrazol-5-yl)thio]methyl]-3-fluoro-benzonitrile Formula: C16H12FN5S MolecularWeight: 325.363383

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=N2)SCC3=C(C=C(C=C3)C#N)F

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=N2)SCC3=C(C=C(C=C3)C#N)F

InChI

InChI=1S/C16H12FN5S/c17-15-8-13(9-18)6-7-14(15)11-23-16-19-20-21-22(16)10-12-4-2-1-3-5-12/h1-8H,10-11H2