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

Systemtic Name: 3-[[1-(phenylmethyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[(1-benzyltetrazol-5-yl)sulfanylmethyl]benzonitrile CAS Name: 3-[[[1-(phenylmethyl)-5-tetrazolyl]thio]methyl]benzonitrile IUPAC Name: 3-[(1-benzyltetrazol-5-yl)sulfanylmethyl]benzonitrile Traditional Name: 3-[[(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(=C3)C#N

Isomeric SMILES

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

InChI

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