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

Systemtic Name: tert-butyl 2-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-(4-methyl-5-thioxo-1H-1,2,4-triazol-3-yl)pyrrolidine-1-carboxylate CAS Name: 2-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)pyrrolidine-1-carboxylate Traditional Name: 2-(4-methyl-5-thioxo-1H-1,2,4-triazol-3-yl)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C12H20N4O2S MolecularWeight: 284.3778

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1C2=NNC(=S)N2C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC1C2=NNC(=S)N2C

InChI

InChI=1S/C12H20N4O2S/c1-12(2,3)18-11(17)16-7-5-6-8(16)9-13-14-10(19)15(9)4/h8H,5-7H2,1-4H3,(H,14,19)