tert-butyl 4-[2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethanoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethanoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetyl]piperazine-1-carboxylate CAS Name: 4-[1-oxo-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C17H23N5O3S2 MolecularWeight: 409.52622

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)CN2C(=NNC2=S)C3=CC=CS3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)CN2C(=NNC2=S)C3=CC=CS3

InChI

InChI=1S/C17H23N5O3S2/c1-17(2,3)25-16(24)21-8-6-20(7-9-21)13(23)11-22-14(18-19-15(22)26)12-5-4-10-27-12/h4-5,10H,6-9,11H2,1-3H3,(H,19,26)