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

Systemtic Name: tert-butyl 4-[3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanoyl]piperazine-1-carboxylate CAS Name: 4-[1-oxo-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanoyl]piperazine-1-carboxylate Traditional Name: 4-[3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C18H25N5O3S2 MolecularWeight: 423.5528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)CCN2C(=NNC2=S)C3=CC=CS3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)CCN2C(=NNC2=S)C3=CC=CS3

InChI

InChI=1S/C18H25N5O3S2/c1-18(2,3)26-17(25)22-10-8-21(9-11-22)14(24)6-7-23-15(19-20-16(23)27)13-5-4-12-28-13/h4-5,12H,6-11H2,1-3H3,(H,20,27)