N-methyl-N-(phenylmethyl)-1-[2-(2-pyridin-2-ylsulfanylethanoylamino)ethyl]-1,2,3-triazole-4-carboxamide

Systemtic Name: N-methyl-N-(phenylmethyl)-1-[2-(2-pyridin-2-ylsulfanylethanoylamino)ethyl]-1,2,3-triazole-4-carboxamide Openeye Name: N-benzyl-N-methyl-1-[2-[[2-(2-pyridylsulfanyl)acetyl]amino]ethyl]triazole-4-carboxamide CAS Name: N-methyl-1-[2-[[1-oxo-2-(2-pyridinylthio)ethyl]amino]ethyl]-N-(phenylmethyl)-4-triazolecarboxamide IUPAC Name: N-benzyl-N-methyl-1-[2-[(2-pyridin-2-ylsulfanylacetyl)amino]ethyl]triazole-4-carboxamide Traditional Name: N-benzyl-N-methyl-1-[2-[[2-(2-pyridylthio)acetyl]amino]ethyl]triazole-4-carboxamide Formula: C20H22N6O2S MolecularWeight: 410.49268

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=O)C2=CN(N=N2)CCNC(=O)CSC3=CC=CC=N3

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=O)C2=CN(N=N2)CCNC(=O)CSC3=CC=CC=N3

InChI

InChI=1S/C20H22N6O2S/c1-25(13-16-7-3-2-4-8-16)20(28)17-14-26(24-23-17)12-11-21-18(27)15-29-19-9-5-6-10-22-19/h2-10,14H,11-13,15H2,1H3,(H,21,27)