N-tert-butyl-2-[2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]ethanamide

Systemtic Name: N-tert-butyl-2-[2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]ethanamide Openeye Name: N-tert-butyl-2-[[2-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetamide CAS Name: N-tert-butyl-2-[[1-oxo-2-[[4-phenyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]ethyl]amino]acetamide IUPAC Name: N-tert-butyl-2-[[2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide Traditional Name: N-tert-butyl-2-[[2-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]acetamide Formula: C21H24N6O2S MolecularWeight: 424.51926

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CNC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CN=CC=C3

Isomeric SMILES

CC(C)(C)NC(=O)CNC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CN=CC=C3

InChI

InChI=1S/C21H24N6O2S/c1-21(2,3)24-17(28)13-23-18(29)14-30-20-26-25-19(15-8-7-11-22-12-15)27(20)16-9-5-4-6-10-16/h4-12H,13-14H2,1-3H3,(H,23,29)(H,24,28)