[5-[(E)-but-2-enyl]sulfanyl-1-methyl-1,2,4-triazol-3-yl] methanesulfonate

Systemtic Name: [5-[(E)-but-2-enyl]sulfanyl-1-methyl-1,2,4-triazol-3-yl] methanesulfonate Openeye Name: [5-[(E)-but-2-enyl]sulfanyl-1-methyl-1,2,4-triazol-3-yl] methanesulfonate CAS Name: methanesulfonic acid [5-[[(E)-but-2-enyl]thio]-1-methyl-1,2,4-triazol-3-yl] ester IUPAC Name: [5-[(E)-but-2-enyl]sulfanyl-1-methyl-1,2,4-triazol-3-yl] methanesulfonate Traditional Name: methanesulfonic acid [5-[[(E)-but-2-enyl]thio]-1-methyl-1,2,4-triazol-3-yl] ester Formula: C8H13N3O3S2 MolecularWeight: 263.33712

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Descriptors Computed from Structure

Canonical SMILES:

CC=CCSC1=NC(=NN1C)OS(=O)(=O)C

Isomeric SMILES

C/C=C/CSC1=NC(=NN1C)OS(=O)(=O)C

InChI

InChI=1S/C8H13N3O3S2/c1-4-5-6-15-8-9-7(10-11(8)2)14-16(3,12)13/h4-5H,6H2,1-3H3/b5-4+