S-[2-(1H-1,2,4-triazol-5-yl)ethyl] ethanethioate

Systemtic Name: S-[2-(1H-1,2,4-triazol-5-yl)ethyl] ethanethioate Openeye Name: S-[2-(1H-1,2,4-triazol-5-yl)ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-(1H-1,2,4-triazol-5-yl)ethyl] ester IUPAC Name: S-[2-(1H-1,2,4-triazol-5-yl)ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-(1H-1,2,4-triazol-5-yl)ethyl] ester Formula: C6H9N3OS MolecularWeight: 171.22016

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCC1=NC=NN1

Isomeric SMILES

CC(=O)SCCC1=NC=NN1

InChI

InChI=1S/C6H9N3OS/c1-5(10)11-3-2-6-7-4-8-9-6/h4H,2-3H2,1H3,(H,7,8,9)