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

Systemtic Name: tert-butyl 2-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: tert-butyl 2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(4-butyl-5-keto-1H-1,2,4-triazol-3-yl)thio]acetic acid tert-butyl ester Formula: C12H21N3O3S MolecularWeight: 287.37844

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC(=O)OC(C)(C)C

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC(=O)OC(C)(C)C

InChI

InChI=1S/C12H21N3O3S/c1-5-6-7-15-10(17)13-14-11(15)19-8-9(16)18-12(2,3)4/h5-8H2,1-4H3,(H,13,17)