N,N-diethyl-1-[4-(2-pyridin-2-ylsulfanylethanoylamino)cyclohexyl]-1,2,3-triazole-4-carboxamide

Systemtic Name: N,N-diethyl-1-[4-(2-pyridin-2-ylsulfanylethanoylamino)cyclohexyl]-1,2,3-triazole-4-carboxamide Openeye Name: N,N-diethyl-1-[4-[[2-(2-pyridylsulfanyl)acetyl]amino]cyclohexyl]triazole-4-carboxamide CAS Name: N,N-diethyl-1-[4-[[1-oxo-2-(2-pyridinylthio)ethyl]amino]cyclohexyl]-4-triazolecarboxamide IUPAC Name: N,N-diethyl-1-[4-[(2-pyridin-2-ylsulfanylacetyl)amino]cyclohexyl]triazole-4-carboxamide Traditional Name: N,N-diethyl-1-[4-[[2-(2-pyridylthio)acetyl]amino]cyclohexyl]triazole-4-carboxamide Formula: C20H28N6O2S MolecularWeight: 416.54032

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CN(N=N1)C2CCC(CC2)NC(=O)CSC3=CC=CC=N3

Isomeric SMILES

CCN(CC)C(=O)C1=CN(N=N1)C2CCC(CC2)NC(=O)CSC3=CC=CC=N3

InChI

InChI=1S/C20H28N6O2S/c1-3-25(4-2)20(28)17-13-26(24-23-17)16-10-8-15(9-11-16)22-18(27)14-29-19-7-5-6-12-21-19/h5-7,12-13,15-16H,3-4,8-11,14H2,1-2H3,(H,22,27)