N-(5-bromanylpyridin-2-yl)-1-[[3-(furan-2-yl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidine-4-carboxamide

Systemtic Name: N-(5-bromanylpyridin-2-yl)-1-[[3-(furan-2-yl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidine-4-carboxamide Openeye Name: N-(5-bromo-2-pyridyl)-1-[[3-(2-furyl)-4-methyl-5-thioxo-1,2,4-triazol-1-yl]methyl]piperidine-4-carboxamide CAS Name: N-(5-bromo-2-pyridinyl)-1-[[3-(2-furanyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-4-piperidinecarboxamide IUPAC Name: N-(5-bromopyridin-2-yl)-1-[[3-(furan-2-yl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidine-4-carboxamide Traditional Name: N-(5-bromo-2-pyridyl)-1-[[3-(2-furyl)-4-methyl-5-thioxo-1,2,4-triazol-1-yl]methyl]isonipecotamide Formula: C19H21BrN6O2S MolecularWeight: 477.37804

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)CN2CCC(CC2)C(=O)NC3=NC=C(C=C3)Br)C4=CC=CO4

Isomeric SMILES

CN1C(=NN(C1=S)CN2CCC(CC2)C(=O)NC3=NC=C(C=C3)Br)C4=CC=CO4

InChI

InChI=1S/C19H21BrN6O2S/c1-24-17(15-3-2-10-28-15)23-26(19(24)29)12-25-8-6-13(7-9-25)18(27)22-16-5-4-14(20)11-21-16/h2-5,10-11,13H,6-9,12H2,1H3,(H,21,22,27)