tert-butyl 2-[(5-oxidanylidene-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoate

Systemtic Name: tert-butyl 2-[(5-oxidanylidene-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: tert-butyl 2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(5-keto-4-propyl-1H-1,2,4-triazol-3-yl)thio]acetic acid tert-butyl ester Formula: C11H19N3O3S MolecularWeight: 273.35186

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC(=O)OC(C)(C)C

Isomeric SMILES

CCCN1C(=O)NN=C1SCC(=O)OC(C)(C)C

InChI

InChI=1S/C11H19N3O3S/c1-5-6-14-9(16)12-13-10(14)18-7-8(15)17-11(2,3)4/h5-7H2,1-4H3,(H,12,16)