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

Systemtic Name: 3-[[1-(2-methylpropyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[(1-isobutyltetrazol-5-yl)sulfanylmethyl]benzonitrile CAS Name: 3-[[[1-(2-methylpropyl)-5-tetrazolyl]thio]methyl]benzonitrile IUPAC Name: 3-[[1-(2-methylpropyl)tetrazol-5-yl]sulfanylmethyl]benzonitrile Traditional Name: 3-[[(1-isobutyltetrazol-5-yl)thio]methyl]benzonitrile Formula: C13H15N5S MolecularWeight: 273.3567

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NN=N1)SCC2=CC=CC(=C2)C#N

Isomeric SMILES

CC(C)CN1C(=NN=N1)SCC2=CC=CC(=C2)C#N

InChI

InChI=1S/C13H15N5S/c1-10(2)8-18-13(15-16-17-18)19-9-12-5-3-4-11(6-12)7-14/h3-6,10H,8-9H2,1-2H3