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

Systemtic Name: 4-[[1-(2-methylpropyl)-1,2,3,4-tetrazol-5-yl]sulfonylmethyl]benzenecarbonitrile Openeye Name: 4-[(1-isobutyltetrazol-5-yl)sulfonylmethyl]benzonitrile CAS Name: 4-[[1-(2-methylpropyl)-5-tetrazolyl]sulfonylmethyl]benzonitrile IUPAC Name: 4-[[1-(2-methylpropyl)tetrazol-5-yl]sulfonylmethyl]benzonitrile Traditional Name: 4-[(1-isobutyltetrazol-5-yl)sulfonylmethyl]benzonitrile Formula: C13H15N5O2S MolecularWeight: 305.3555

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NN=N1)S(=O)(=O)CC2=CC=C(C=C2)C#N

Isomeric SMILES

CC(C)CN1C(=NN=N1)S(=O)(=O)CC2=CC=C(C=C2)C#N

InChI

InChI=1S/C13H15N5O2S/c1-10(2)8-18-13(15-16-17-18)21(19,20)9-12-5-3-11(7-14)4-6-12/h3-6,10H,8-9H2,1-2H3