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

Systemtic Name: [5-[(E)-but-2-enyl]sulfanyl-1-methyl-1,2,4-triazol-3-yl] ethanesulfonate Openeye Name: [5-[(E)-but-2-enyl]sulfanyl-1-methyl-1,2,4-triazol-3-yl] ethanesulfonate CAS Name: ethanesulfonic 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] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[(E)-but-2-enyl]thio]-1-methyl-1,2,4-triazol-3-yl] ester Formula: C9H15N3O3S2 MolecularWeight: 277.3637

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=NN(C(=N1)SCC=CC)C

Isomeric SMILES

CCS(=O)(=O)OC1=NN(C(=N1)SC/C=C/C)C

InChI

InChI=1S/C9H15N3O3S2/c1-4-6-7-16-9-10-8(11-12(9)3)15-17(13,14)5-2/h4,6H,5,7H2,1-3H3/b6-4+