tert-butyl 2-(4-azanyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-(4-azanyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-(4-amino-5-thioxo-1H-1,2,4-triazol-3-yl)pyrrolidine-1-carboxylate CAS Name: 2-(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)pyrrolidine-1-carboxylate Traditional Name: 2-(4-amino-5-thioxo-1H-1,2,4-triazol-3-yl)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C11H19N5O2S MolecularWeight: 285.36586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1C2=NNC(=S)N2N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC1C2=NNC(=S)N2N

InChI

InChI=1S/C11H19N5O2S/c1-11(2,3)18-10(17)15-6-4-5-7(15)8-13-14-9(19)16(8)12/h7H,4-6,12H2,1-3H3,(H,14,19)