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

Systemtic Name: 2-[[1-(phenylmethyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[(1-benzyltetrazol-5-yl)sulfanylmethyl]benzonitrile CAS Name: 2-[[[1-(phenylmethyl)-5-tetrazolyl]thio]methyl]benzonitrile IUPAC Name: 2-[(1-benzyltetrazol-5-yl)sulfanylmethyl]benzonitrile Traditional Name: 2-[[(1-benzyltetrazol-5-yl)thio]methyl]benzonitrile Formula: C16H13N5S MolecularWeight: 307.37292

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=N2)SCC3=CC=CC=C3C#N

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=N2)SCC3=CC=CC=C3C#N

InChI

InChI=1S/C16H13N5S/c17-10-14-8-4-5-9-15(14)12-22-16-18-19-20-21(16)11-13-6-2-1-3-7-13/h1-9H,11-12H2