tert-butyl (E)-6-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]hex-2-enoate

Systemtic Name: tert-butyl (E)-6-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]hex-2-enoate Openeye Name: tert-butyl (E)-6-(1-phenyltetrazol-5-yl)sulfanylhex-2-enoate CAS Name: (E)-6-[(1-phenyl-5-tetrazolyl)thio]-2-hexenoic acid tert-butyl ester IUPAC Name: tert-butyl (E)-6-(1-phenyltetrazol-5-yl)sulfanylhex-2-enoate Traditional Name: (E)-6-[(1-phenyltetrazol-5-yl)thio]hex-2-enoic acid tert-butyl ester Formula: C17H22N4O2S MolecularWeight: 346.44718

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C=CCCCSC1=NN=NN1C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)/C=C/CCCSC1=NN=NN1C2=CC=CC=C2

InChI

InChI=1S/C17H22N4O2S/c1-17(2,3)23-15(22)12-8-5-9-13-24-16-18-19-20-21(16)14-10-6-4-7-11-14/h4,6-8,10-12H,5,9,13H2,1-3H3/b12-8+