tert-butyl 3-azanyl-3-(5-sulfanylidene-2H-1,2,3,4-tetrazol-1-yl)propanoate

Systemtic Name: tert-butyl 3-azanyl-3-(5-sulfanylidene-2H-1,2,3,4-tetrazol-1-yl)propanoate Openeye Name: tert-butyl 3-amino-3-(5-thioxo-2H-tetrazol-1-yl)propanoate CAS Name: 3-amino-3-(5-sulfanylidene-2H-tetrazol-1-yl)propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-amino-3-(5-sulfanylidene-2H-tetrazol-1-yl)propanoate Traditional Name: 3-amino-3-(5-thioxo-2H-tetrazol-1-yl)propionic acid tert-butyl ester Formula: C8H15N5O2S MolecularWeight: 245.302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC(N)N1C(=S)N=NN1

Isomeric SMILES

CC(C)(C)OC(=O)CC(N)N1C(=S)N=NN1

InChI

InChI=1S/C8H15N5O2S/c1-8(2,3)15-6(14)4-5(9)13-7(16)10-11-12-13/h5H,4,9H2,1-3H3,(H,10,12,16)