tert-butyl 2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanoate

Systemtic Name: tert-butyl 2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanoate Openeye Name: tert-butyl 2-(1H-1,2,4-triazol-5-ylsulfanyl)acetate CAS Name: 2-(1H-1,2,4-triazol-5-ylthio)acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(1H-1,2,4-triazol-5-ylsulfanyl)acetate Traditional Name: 2-(1H-1,2,4-triazol-5-ylthio)acetic acid tert-butyl ester Formula: C8H13N3O2S MolecularWeight: 215.27272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CSC1=NC=NN1

Isomeric SMILES

CC(C)(C)OC(=O)CSC1=NC=NN1

InChI

InChI=1S/C8H13N3O2S/c1-8(2,3)13-6(12)4-14-7-9-5-10-11-7/h5H,4H2,1-3H3,(H,9,10,11)