S-(1-methyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-1-ium-6-yl) ethanethioate

Systemtic Name: S-(1-methyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-1-ium-6-yl) ethanethioate Openeye Name: S-(1-methyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-1-ium-6-yl) ethanethioate CAS Name: ethanethioic acid S-(1-methyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-1-ium-6-yl) ester IUPAC Name: S-(1-methyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-1-ium-6-yl) ethanethioate Traditional Name: ethanethioic acid S-(1-methyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-1-ium-6-yl) ester Formula: C8H12N3OS+ MolecularWeight: 198.26538

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CC2=[N+](C=NN2C1)C

Isomeric SMILES

CC(=O)SC1CC2=[N+](C=NN2C1)C

InChI

InChI=1S/C8H12N3OS/c1-6(12)13-7-3-8-10(2)5-9-11(8)4-7/h5,7H,3-4H2,1-2H3/q+1