(E)-2-methyl-6-(2H-1,2,3-triazol-4-ylsulfanyl)hex-2-enoate

Systemtic Name: (E)-2-methyl-6-(2H-1,2,3-triazol-4-ylsulfanyl)hex-2-enoate Openeye Name: (E)-2-methyl-6-(2H-triazol-4-ylsulfanyl)hex-2-enoate CAS Name: (E)-2-methyl-6-(2H-triazol-4-ylthio)-2-hexenoate IUPAC Name: (E)-2-methyl-6-(2H-triazol-4-ylsulfanyl)hex-2-enoate Traditional Name: (E)-2-methyl-6-(2H-triazol-4-ylthio)hex-2-enoate Formula: C9H12N3O2S- MolecularWeight: 226.27548

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCCSC1=NNN=C1)C(=O)[O-]

Isomeric SMILES

C/C(=C\CCCSC1=NNN=C1)/C(=O)[O-]

InChI

InChI=1S/C9H13N3O2S/c1-7(9(13)14)4-2-3-5-15-8-6-10-12-11-8/h4,6H,2-3,5H2,1H3,(H,13,14)(H,10,11,12)/p-1/b7-4+