tert-butyl 5-sulfanylidene-1,2,3-triazole-4-carboxylate

Systemtic Name: tert-butyl 5-sulfanylidene-1,2,3-triazole-4-carboxylate Openeye Name: tert-butyl 5-thioxotriazole-4-carboxylate CAS Name: 5-sulfanylidene-4-triazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-sulfanylidenetriazole-4-carboxylate Traditional Name: 5-thioxotriazole-4-carboxylic acid tert-butyl ester Formula: C7H9N3O2S MolecularWeight: 199.23026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=NN=NC1=S

Isomeric SMILES

CC(C)(C)OC(=O)C1=NN=NC1=S

InChI

InChI=1S/C7H9N3O2S/c1-7(2,3)12-6(11)4-5(13)9-10-8-4/h1-3H3