tert-butyl 4-[(1-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)carbonyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[(1-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)carbonyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[1-phenyl-5-(2-thienyl)-1,2,4-triazole-3-carbonyl]piperazine-1-carboxylate CAS Name: 4-[oxo-(1-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carbonyl)piperazine-1-carboxylate Traditional Name: 4-[1-phenyl-5-(2-thienyl)-1,2,4-triazole-3-carbonyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C22H25N5O3S MolecularWeight: 439.5306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=NN(C(=N2)C3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=NN(C(=N2)C3=CC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C22H25N5O3S/c1-22(2,3)30-21(29)26-13-11-25(12-14-26)20(28)18-23-19(17-10-7-15-31-17)27(24-18)16-8-5-4-6-9-16/h4-10,15H,11-14H2,1-3H3